Geometry & MOs

Info

ID:

47528

PubChem CID:

10533891

Reduced:

N4O7C23H32 (2)

Stoich.:

A4B7C23D32 (2)

Weight, g/mol:

952.386908

ΔHf, kcal/mol:

-630.42

Dipole, Da:

0.82

IP(EA), eV:

 -9.47(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17S)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 4,4-bis[bis(phenylmethoxy)phosphoryl]butanoate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)OC([C@@H](C(=O)NC(C(=O)C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC(C)C)(O)O)CC(C)C)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations