Geometry & MOs

Info

ID:	194795
PubChem CID:	78590805
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	407.032728
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	3.07
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[3-(3,4-dichlorophenyl)prop-2-enoyloxy]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC(=NOC(=O)NC2=CC(=C(C=C2)C)Cl)N

DOS

IR

Vibrations