Geometry & MOs

Info

ID:	189270
PubChem CID:	77836112
Reduced:	NSSiO5C18H29 (1)
Stoich.:	ABCD5E18F29 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-242.75
Dipole, Da:	7.27
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[amino(phenyl)methyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(C1C(=O)N2C1(SC(=C2C(=O)O)CO)CC=C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations