Geometry & MOs

Info

ID:	367154
PubChem CID:	127323570
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	5.27
IP(EA), eV:	-9.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3CCC4=NC(=NN4C3)CC

DOS

IR

Vibrations