Geometry & MOs

Info

ID:	58075
PubChem CID:	24423892
Reduced:	ClFS2O4N5H15C19 (1)
Stoich.:	ABC2D4E5F15G19 (1)
Weight, g/mol:	441.033224
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	6.17
IP(EA), eV:	-9.3(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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-])F

DOS

IR

Vibrations