Geometry & MOs

Info

ID:	315730
PubChem CID:	126628628
Reduced:	O4N5C32H49 (1)
Stoich.:	A4B5C32D49 (1)
Weight, g/mol:	539.347155
ΔH_f, kcal/mol:	-165.91
Dipole, Da:	3.14
IP(EA), eV:	-9.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,21E)-2,11,19,19-tetramethyl-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](C1=CC=CC(=C1)C=C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)C(C(C)C)NC(=O)CCC(C)(C)CC=C

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](C1=CC=CC(=C1)C=C)NC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)C(C(C)C)NC(=O)CCC(C)(C)CC=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):