Geometry & MOs

Info

ID:	348294
PubChem CID:	127273359
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	3.68
IP(EA), eV:	-9.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations