Geometry & MOs

Info

ID:	139941
PubChem CID:	52620049
Reduced:	Cl2O2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	385.089641
ΔH_f, kcal/mol:	-53.08
Dipole, Da:	6.31
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations