Geometry & MOs

Info

ID:	367170
PubChem CID:	127323586
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	4.49
IP(EA), eV:	-9.47(0.33)
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-(2-methyl-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CCCN(C3)S(=O)(=O)CC

DOS

IR

Vibrations