Geometry & MOs

Info

ID:

307117

PubChem CID:

125267689

Reduced:

O5C22H34 (1)

Stoich.:

A5B22C34 (1)

Weight, g/mol:

489.381809

ΔHf, kcal/mol:

-175.92

Dipole, Da:

2.9

IP(EA), eV:

 -9.86(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(oxan-4-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@]2([C@H](C[C@@]([C@H]([C@@H]([C@@]13[C@@H]2C(=O)CC3)C)O)(C)C=C)OC(=O)CO)C

DOS

IR

Vibrations