Geometry & MOs

Info

ID:	58088
PubChem CID:	24423948
Reduced:	S2O4N5C19H25 (1)
Stoich.:	A2B4C5D19E25 (1)
Weight, g/mol:	451.134797
ΔH_f, kcal/mol:	-36.1
Dipole, Da:	7.62
IP(EA), eV:	-8.88(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(3,5-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NC2=C(C=CC=C2C)C

DOS

IR

Vibrations