Geometry & MOs

Info

ID:	58047
PubChem CID:	24423713
Reduced:	FSO2N3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	-36.42
Dipole, Da:	3.45
IP(EA), eV:	-8.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-[(3-methylphenyl)carbamothioylamino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3F

DOS

IR

Vibrations