Geometry & MOs

Info

ID:	344415
PubChem CID:	127267591
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	6.08
IP(EA), eV:	-9.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations