Geometry & MOs

Info

ID:	217400
PubChem CID:	85087760
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-170.94
Dipole, Da:	4.47
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C2C(C(=O)NC1=O)SC=C2C3=CC=CC=C3

DOS

IR

Vibrations