Geometry & MOs

Info

ID:	380551
PubChem CID:	134971032
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	6.83
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(cyclohexen-1-ylmethoxy)-5-[(4-methoxyphenyl)methoxy]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2C=C[C@H](ON2C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations