Geometry & MOs

Info

ID:	172981
PubChem CID:	75577958
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-232.48
Dipole, Da:	6.22
IP(EA), eV:	-9.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(3-cyano-4-methyl-6-oxo-3H-pyridin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)CSC(CC(=O)[O-])C(=O)[O-])C)C

DOS

IR

Vibrations