Geometry & MOs

Info

ID:	186038
PubChem CID:	77382766
Reduced:	SiO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	375.240959
ΔH_f, kcal/mol:	-217.14
Dipole, Da:	4.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752073
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methylbutanoic acid;17-hydroxy-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1(OC2C(OC(=O)C2(O1)[Si](C)C)CCO)C

DOS

IR

Vibrations