Geometry & MOs

Info

ID:	315712
PubChem CID:	126628606
Reduced:	F3N5O5C31H44 (1)
Stoich.:	A3B5C5D31E44 (1)
Weight, g/mol:	541.32642
ΔH_f, kcal/mol:	-323.86
Dipole, Da:	5.19
IP(EA), eV:	-9.36(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,11S,17R,18R,21E)-18-hydroxy-2,11,17-trimethyl-14-propan-2-yl-3,9,12,15,28-pentazatricyclo[21.3.1.15,9]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetrone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1[C@@H](CC/C=C/C2=CC(=CC=C2)[C@H](NC(=O)[C@@H]3CCCN(N3)C(=O)C(NC(=O)C(NC1=O)C(C)C)C)C)OCC(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1[C@@H](CC/C=C/C2=CC(=CC=C2)[C@H](NC(=O)[C@@H]3CCCN(N3)C(=O)C(NC(=O)C(NC1=O)C(C)C)C)C)OCC(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):