Geometry & MOs

Info

ID:	231467
PubChem CID:	87573804
Reduced:	NSi2C19H38 (1)
Stoich.:	AB2C19D38 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-21.03
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.808589
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzhydrylideneamino)-3-[3-(morpholin-4-ylmethyl)-2-nitrophenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)C1(CCCC1)NC/C(=C(/C)\[Si])/C

DOS

IR

Vibrations