Geometry & MOs

Info

ID:	32953
PubChem CID:	7849673
Reduced:	NSO7C20H23 (1)
Stoich.:	ABC7D20E23 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-275.86
Dipole, Da:	3.06
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

DOS

IR

Vibrations