Geometry & MOs

Info

ID:	346274
PubChem CID:	127270778
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-125.2
Dipole, Da:	3.98
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-(2-pyridin-2-ylsulfanylpyridin-4-yl)bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

DOS

IR

Vibrations