Geometry & MOs

Info

ID:

188845

PubChem CID:

77773930

Reduced:

SN3O5C15H21 (1)

Stoich.:

AB3C5D15E21 (1)

Weight, g/mol:

487.388626

ΔHf, kcal/mol:

-188.8

Dipole, Da:

4.41

IP(EA), eV:

 -9.71(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-methylprop-2-enylidene]amino]-2-[2-(dimethylamino)ethyl]guanidine

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1NC(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations