Geometry & MOs

Info

ID:	176638
PubChem CID:	76076257
Reduced:	SN4O4C14H18 (1)
Stoich.:	AB4C4D14E18 (1)
Weight, g/mol:	626.219507
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	7.16
IP(EA), eV:	-8.88(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-2,6-diethylanilino)-2-oxoethyl]-4-(7-fluoro-1,3-benzodioxol-5-yl)-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC(C1=NC2C(=NC=NC2=S)N1)OC(=O)CCC

DOS

IR

Vibrations