Geometry & MOs

Info

ID:	58073
PubChem CID:	24423884
Reduced:	ClS2O4N5H16C19 (1)
Stoich.:	AB2C4D5E16F19 (1)
Weight, g/mol:	415.017574
ΔH_f, kcal/mol:	14.1
Dipole, Da:	12.36
IP(EA), eV:	-9.04(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations