Geometry & MOs

Info

ID:

214874

PubChem CID:

85083781

Reduced:

SN4O4C36H46 (1)

Stoich.:

AB4C4D36E46 (1)

Weight, g/mol:

630.431796

ΔHf, kcal/mol:

-161.8

Dipole, Da:

5.37

IP(EA), eV:

 -8.22(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-hydroxy-2,3,10,13-tetramethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCCSC)NC(=O)OC4C5CC6CC(C5)CC4C6

DOS

IR

Vibrations