Geometry & MOs

Info

ID:	32950
PubChem CID:	7849670
Reduced:	NSO5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-164.47
Dipole, Da:	10.76
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]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(NC3=CC=CC=C32)C

DOS

IR

Vibrations