Geometry & MOs

Info

ID:	58065
PubChem CID:	24423851
Reduced:	S2O4N5C11H15 (1)
Stoich.:	A2B4C5D11E15 (1)
Weight, g/mol:	395.072196
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	1.12
IP(EA), eV:	-9.15(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

CC(=C)CNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations