Geometry & MOs

Info

ID:

80597

PubChem CID:

49835408

Reduced:

N2H4C5 (4)

Stoich.:

A2B4C5 (4)

Weight, g/mol:

467.315748

ΔHf, kcal/mol:

159.44

Dipole, Da:

4.06

IP(EA), eV:

 -8.1(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N)C2=C(N=C3N2N=CC=C3)NC4=CC5=CC=CC=C5C=N4

DOS

IR

Vibrations