Geometry & MOs

Info

ID:	194732
PubChem CID:	78582881
Reduced:	FNOCl2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	424.179835
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	3.77
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations