Geometry & MOs

Info

ID:	58090
PubChem CID:	24423972
Reduced:	ClO2S2N3C22H22 (1)
Stoich.:	AB2C2D3E22F22 (1)
Weight, g/mol:	459.084197
ΔH_f, kcal/mol:	-23.72
Dipole, Da:	4.45
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-(2,3-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C)C

DOS

IR

Vibrations