Geometry & MOs

Info

ID:	58084
PubChem CID:	24423929
Reduced:	S2O4N5C19H25 (1)
Stoich.:	A2B4C5D19E25 (1)
Weight, g/mol:	491.025552
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	3.9
IP(EA), eV:	-8.94(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-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)NCCC2=CC=CC=C2

DOS

IR

Vibrations