Geometry & MOs

Info

ID:	58085
PubChem CID:	24423930
Reduced:	Cl2S2O4N5C17H19 (1)
Stoich.:	A2B2C4D5E17F19 (1)
Weight, g/mol:	491.025552
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	6.45
IP(EA), eV:	-9.07(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations