Geometry & MOs

Info

ID:	149062
PubChem CID:	53788733
Reduced:	S2N7O7H29C34 (1)
Stoich.:	A2B7C7D29E34 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-36.86
Dipole, Da:	9.96
IP(EA), eV:	-8.44(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-acetylnaphthalen-1-yl)oxybutanoic acid

Drug info:

PubChemData

Smile

CCS(=O)OC1=CC=C(C=C1)N=NC2=C(C3=C(C=C2C)C=C(C(=NNC4=CC=CC=C4C5=NC(=NO5)C6=CC=C(C=C6)C)C3=O)S(=O)(=O)O)N

DOS

IR

Vibrations