Geometry & MOs

Info

ID:

449941

PubChem CID:

135302726

Reduced:

ISO4N5C20H26 (1)

Stoich.:

ABC4D5E20F26 (1)

Weight, g/mol:

390.313395

ΔHf, kcal/mol:

-131.84

Dipole, Da:

2.11

IP(EA), eV:

 -9.23(-2.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(3R,5R,8R,10S,13R)-3-hydroxy-7,10,13-trimethyl-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

CC1C(SC2N1C(C2NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)I)O)(C)C

DOS

IR

Vibrations