Geometry & MOs

Info

ID:	382437
PubChem CID:	134973582
Reduced:	SO4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	359.209658
ΔH_f, kcal/mol:	-172.03
Dipole, Da:	4.69
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-3-methyl-1-(3-methylbutyl)-4-oxonaphthalen-2-yl] N,N-diethylcarbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](O[C@H]1[C@@H](C)CS(=O)(=O)C2=CC=CC=C2)C(C)OC

DOS

IR

Vibrations