Geometry & MOs

Info

ID:	135690
PubChem CID:	51917316
Reduced:	FNO5H22C25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	466.119858
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	6.64
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations