Geometry & MOs

Info

ID:	58086
PubChem CID:	24423932
Reduced:	Cl2S2O4N5C17H19 (1)
Stoich.:	A2B2C4D5E17F19 (1)
Weight, g/mol:	405.114061
ΔH_f, kcal/mol:	72.0
Dipole, Da:	1.95
IP(EA), eV:	-9.09(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations