Geometry & MOs

Info

ID:	370844
PubChem CID:	127341085
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	395.151288
ΔH_f, kcal/mol:	-204.3
Dipole, Da:	4.26
IP(EA), eV:	-9.79(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCCCC1OCCNC(=O)CN2CCS(=O)(=O)C(C2)C

DOS

IR

Vibrations