Geometry & MOs

Info

ID:	375641
PubChem CID:	134214227
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	377.175084
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	6.14
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-4-[(E)-1-[[(2S,4S)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]methoxy]prop-1-enyl]-5-(methylideneamino)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OCC[C@@H]3[C@H]4CC[C@]4(C(=O)N3)F)C(=O)N

DOS

IR

Vibrations