Geometry & MOs

Info

ID:	252931
PubChem CID:	103114994
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	329.025246
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	7.25
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[(2-methyl-3-nitrophenyl)methyl]-1,3,4-thiadiazole-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=C(N=NN2CCC(=O)N)C(=O)O)Cl

DOS

IR

Vibrations