Geometry & MOs

Info

ID:	29545
PubChem CID:	835048
Reduced:	FSN2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	304.043712
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	3.05
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations