Geometry & MOs

Info

ID:	36256
PubChem CID:	7982532
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	413.137556
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	4.81
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)COC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations