Geometry & MOs

Info

ID:	132083
PubChem CID:	51304041
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	-111.85
Dipole, Da:	7.64
IP(EA), eV:	-8.96(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-2-ylsulfanylazepan-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)CN2CCCC2C(=O)N3CCOCC3

DOS

IR

Vibrations