Geometry & MOs

Info

ID:	27849
PubChem CID:	823870
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	338.070069
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	4.44
IP(EA), eV:	-8.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)C

DOS

IR

Vibrations