Geometry & MOs

Info

ID:	393215
PubChem CID:	135019757
Reduced:	NO8C31H41 (1)
Stoich.:	AB8C31D41 (1)
Weight, g/mol:	785.490219
ΔH_f, kcal/mol:	-349.08
Dipole, Da:	4.37
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6E,8S,9S,12R,13E,15E)-12-methoxy-6,8,16-trimethyl-5,9,20-tris(triethylsilyloxy)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione

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=C(/[C@H](CC(=O)NC2=CC(=CC(=C2)C/C(=C/C=C/[C@H](C3(C[C@@H]1OC(=O)C3)O)OC)/C)O)OC(=O)C(C)C)\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]1/C=C(/[C@H](CC(=O)NC2=CC(=CC(=C2)C/C(=C/C=C/[C@H](C3(C[C@@H]1OC(=O)C3)O)OC)/C)O)OC(=O)C(C)C)\C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):