Geometry & MOs

Info

ID:	345671
PubChem CID:	127269971
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	356.105545
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	8.56
IP(EA), eV:	-9.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1NC(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3)C

DOS

IR

Vibrations