Geometry & MOs

Info

ID:	27971
PubChem CID:	824480
Reduced:	ClNOSH16C19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	6.62
Dipole, Da:	1.43
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations