Geometry & MOs

Info

ID:	188976
PubChem CID:	77796044
Reduced:	ClSSiN3O4C20H30 (1)
Stoich.:	ABCD3E4F20G30 (1)
Weight, g/mol:	462.407296
ΔH_f, kcal/mol:	-178.48
Dipole, Da:	6.28
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,8,10,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,1,2-triol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(N(C1)C(=O)OCC=C)C(C2=CN3C(=CN=C3Cl)S2)O

DOS

IR

Vibrations