Geometry & MOs

Info

ID:	156672
PubChem CID:	56371631
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	360.089226
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	6.41
IP(EA), eV:	-8.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylsulfamoyl)phenyl]methyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations