Geometry & MOs

Info

ID:	36442
PubChem CID:	8006964
Reduced:	ClNSO3H16C18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	322.092912
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	3.07
IP(EA), eV:	-9.33(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)[C@H]2N(C(=O)CS2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations