Geometry & MOs

Info

ID:	28275
PubChem CID:	826720
Reduced:	ClSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	2.18
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)carbamothioyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C2=CC=CC=C2CSC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations