Geometry & MOs

Info

ID:	58027
PubChem CID:	24423396
Reduced:	F2O3S3N4H14C18 (1)
Stoich.:	A2B3C3D4E14F18 (1)
Weight, g/mol:	480.015132
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	3.23
IP(EA), eV:	-8.81(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methylphenyl)-3-[[2-(thiophen-2-ylsulfonylamino)benzoyl]amino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=C(C=C(C=C2)F)F)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations