Geometry & MOs

Info

ID:	375622
PubChem CID:	134214134
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	395.165663
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	9.57
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CCC1C[C@H]2OC3=C4C=C(C(=CC4=NC=C3)C(=O)N)OC(C)C

DOS

IR

Vibrations