Geometry & MOs

Info

ID:	179473
PubChem CID:	76487708
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	402.091929
ΔH_f, kcal/mol:	14.03
Dipole, Da:	7.09
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[acetyl-(2-amino-3-tert-butylsulfanylpropanoyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(ON2)CC=O)N=C(N)N

DOS

IR

Vibrations