Geometry & MOs

Info

ID:	161054
PubChem CID:	57390633
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	304.105922
ΔH_f, kcal/mol:	8.39
Dipole, Da:	2.09
IP(EA), eV:	-9.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(C)/C(=C(/C#N)\C(=O)N)/C1=CC=CC=C1

DOS

IR

Vibrations