Geometry & MOs

Info

ID:	195096
PubChem CID:	78634661
Reduced:	FNO4H20C23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	346.132885
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	6.27
IP(EA), eV:	-8.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 3-(3-fluoro-4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C=CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations