Geometry & MOs

Info

ID:	58078
PubChem CID:	24423900
Reduced:	ClS3O4N5C17H20 (1)
Stoich.:	AB3C4D5E17F20 (1)
Weight, g/mol:	441.118084
ΔH_f, kcal/mol:	-22.9
Dipole, Da:	3.09
IP(EA), eV:	-8.91(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CSCCCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations