Geometry & MOs

Info

ID:

303586

PubChem CID:

124489933

Reduced:

NO7C8H13 (1)

Stoich.:

AB7C8D13 (1)

Weight, g/mol:

376.297745

ΔHf, kcal/mol:

-309.42

Dipole, Da:

4.53

IP(EA), eV:

 -10.43(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O

DOS

IR

Vibrations