Geometry & MOs

Info

ID:	368412
PubChem CID:	127328337
Reduced:	NSO4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-159.34
Dipole, Da:	6.51
IP(EA), eV:	-9.24(-0.38)
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)-1-phenylsulfanylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations