Geometry & MOs

Info

ID:	133562
PubChem CID:	51552147
Reduced:	Cl2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-141.5
Dipole, Da:	1.3
IP(EA), eV:	-9.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-methoxyanilino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations