Geometry & MOs

Info

ID:	242921
PubChem CID:	99214282
Reduced:	ClN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-68.32
Dipole, Da:	7.22
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[4-[methoxycarbonyl(methyl)amino]anilino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations