Geometry & MOs

Info

ID:	225749
PubChem CID:	87225848
Reduced:	OSN3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	38.66
Dipole, Da:	1.54
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-8-(2-methoxyethylamino)-2-methyl-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC=C1)SC(=N2)NC3=C(N=CC=C3)OC4=CC=CC=C4C(C)(C)C

DOS

IR

Vibrations