Geometry & MOs

Info

ID:	27969
PubChem CID:	824472
Reduced:	ClSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	304.043712
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	6.69
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=NNC(=O)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations