Geometry & MOs

Info

ID:	58077
PubChem CID:	24423898
Reduced:	ClS2N5O5C17H20 (1)
Stoich.:	AB2C5D5E17F20 (1)
Weight, g/mol:	489.036595
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	4.63
IP(EA), eV:	-9.28(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(3-methylsulfanylpropyl)thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations