Geometry & MOs

Info

ID:	26945
PubChem CID:	804612
Reduced:	ClNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	227.076871
ΔH_f, kcal/mol:	-29.25
Dipole, Da:	3.86
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-phenylbenzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NCCC(=O)C2=CC=CO2

DOS

IR

Vibrations