Geometry & MOs

Info

ID:	62571
PubChem CID:	26719884
Reduced:	OSN3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	449.123169
ΔH_f, kcal/mol:	45.37
Dipole, Da:	2.37
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-naphthalen-2-yl-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations