Geometry & MOs

Info

ID:	314544
PubChem CID:	126622095
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	388.118298
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	6.55
IP(EA), eV:	-8.93(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-nitroisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CCC1C(C2=C(C(=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)C)F)NC1=O)C

DOS

IR

Vibrations