Geometry & MOs

Info

ID:	66148
PubChem CID:	46499988
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	6.08
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-2-[(4-methylbenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)/C(=C\C(=O)CCC3=CC=CC=C3)/N2

DOS

IR

Vibrations