Geometry & MOs

Info

ID:	58067
PubChem CID:	24423862
Reduced:	S2O4N5C15H17 (1)
Stoich.:	A2B4C5D15E17 (1)
Weight, g/mol:	395.072196
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	1.84
IP(EA), eV:	-9.09(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations