Geometry & MOs

Info

ID:	58141
PubChem CID:	24424300
Reduced:	SCl2O2N4H10C13 (1)
Stoich.:	AB2C2D4E10F13 (1)
Weight, g/mol:	355.990152
ΔH_f, kcal/mol:	36.87
Dipole, Da:	3.31
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations