Geometry & MOs

Info

ID:	441756
PubChem CID:	135243471
Reduced:	OSN2H10C24 (1)
Stoich.:	ABC2D10E24 (1)
Weight, g/mol:	417.169999
ΔH_f, kcal/mol:	130.87
Dipole, Da:	0.96
IP(EA), eV:	-8.88(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-[(4-fluorophenyl)carbamoylamino]-4-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2-oxopyrrolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)OC3=C2C=CC4=C3C=CC5=C4SC6=C5C=CC(=C6)C#N

DOS

IR

Vibrations