Geometry & MOs

Info

ID:	328243
PubChem CID:	126700357
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-196.63
Dipole, Da:	4.79
IP(EA), eV:	-9.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methoxycarbonyl-2,6-dipropylphenoxy)-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C(=CC(=C1)S(=O)(=O)C)C(C)(C)C)O

DOS

IR

Vibrations