Geometry & MOs

Info

ID:	360521
PubChem CID:	127301166
Reduced:	O4N5C15H21 (1)
Stoich.:	A4B5C15D21 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	-134.21
Dipole, Da:	0.68
IP(EA), eV:	-10.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCC2)NC(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations