Geometry & MOs

Info

ID:	58076
PubChem CID:	24423896
Reduced:	ClS2O4N5C16H16 (1)
Stoich.:	AB2C4D5E16F16 (1)
Weight, g/mol:	473.059439
ΔH_f, kcal/mol:	6.34
Dipole, Da:	9.41
IP(EA), eV:	-9.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations