Geometry & MOs

Info

ID:	61762
PubChem CID:	26712601
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	421.161326
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	5.94
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations