Geometry & MOs

Info

ID:

188193

PubChem CID:

77680139

Reduced:

S2N4O7C39H52 (1)

Stoich.:

A2B4C7D39E52 (1)

Weight, g/mol:

539.18902

ΔHf, kcal/mol:

-262.62

Dipole, Da:

3.62

IP(EA), eV:

 -8.57(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-cyclopropyl-6-fluoro-1,3-benzothiazol-2-yl)-2-[4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)NC(C3=CC=CC=C3)C(=O)NC(C)(CC)CC(=O)O)SC)C4=CC=CC=C4)CCCC

DOS

IR

Vibrations