Geometry & MOs

Info

ID:	138225
PubChem CID:	52330889
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	383.041664
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	4.01
IP(EA), eV:	-8.21(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2CCCCCCC2)OC

DOS

IR

Vibrations