Geometry & MOs

Info

ID:	48609
PubChem CID:	11109923
Reduced:	NSO2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	318.110338
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	5.59
IP(EA), eV:	-8.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)propyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)[C@@H]2CC(=S)N(C2)[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations