Geometry & MOs

Info

ID:	177113
PubChem CID:	76136306
Reduced:	N2S2O7C14H24 (1)
Stoich.:	A2B2C7D14E24 (1)
Weight, g/mol:	650.275879
ΔH_f, kcal/mol:	-329.52
Dipole, Da:	2.66
IP(EA), eV:	-9.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-2,6-diethylanilino)-2-oxoethyl]-4-(4-methyl-1,3-benzodioxol-5-yl)-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CSCCOC(=O)C(CCO)(CS)NC(=O)C)C(=O)O

DOS

IR

Vibrations