Geometry & MOs

Info

ID:

161611

PubChem CID:

57392135

Reduced:

SN4H24C25 (1)

Stoich.:

AB4C24D25 (1)

Weight, g/mol:

500.350175

ΔHf, kcal/mol:

96.77

Dipole, Da:

3.75

IP(EA), eV:

 -8.37(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl (4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C2=CC=C(C=C2)NC3=NC4=C(S3)CCCC4C5=CC=CC=C5)C

DOS

IR

Vibrations