Geometry & MOs

Info

ID:	197557
PubChem CID:	78978190
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	4.36
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl-(2-methylcyclopropanecarbonyl)amino]acetate

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)N(CC=C)CC(=O)OCC)C

DOS

IR

Vibrations