Geometry & MOs

Info

ID:	48395
PubChem CID:	10544421
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	330.128966
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	1.12
IP(EA), eV:	-8.65(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)sulfanyl-6-phenylhexanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCC(CNCC2=CC=C(C=C2)OC)O

DOS

IR

Vibrations