Geometry & MOs

Info

ID:

446374

PubChem CID:

135274527

Reduced:

N8O9C58H118 (1)

Stoich.:

A8B9C58D118 (1)

Weight, g/mol:

428.401816

ΔHf, kcal/mol:

-572.77

Dipole, Da:

9.15

IP(EA), eV:

 -8.62(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13R,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-propan-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CC(C)CCN(CCC(C)C)CCNC(=O)OCC(COC(=O)NCCN(CCC(C)C)CCC(C)C)OC(COC(=O)NCCN(CCC(C)C)CCC(C)C)COC(=O)NCCN(CCC(C)C)CCC(C)C

DOS

IR

Vibrations