Geometry & MOs

Info

ID:	37571
PubChem CID:	8022290
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	357.113171
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	4.17
IP(EA), eV:	-8.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)COC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations