Geometry & MOs

Info

ID:	58089
PubChem CID:	24423951
Reduced:	S2O4N5C19H25 (1)
Stoich.:	A2B4C5D19E25 (1)
Weight, g/mol:	459.084197
ΔH_f, kcal/mol:	-42.42
Dipole, Da:	9.5
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations