Geometry & MOs

Info

ID:	66149
PubChem CID:	46499995
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	4.93
IP(EA), eV:	-9.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-3-(4-methoxyphenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations