Geometry & MOs

Info

ID:	128204
PubChem CID:	51035113
Reduced:	N2O2F6H22C23 (1)
Stoich.:	A2B2C6D22E23 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	-384.78
Dipole, Da:	3.58
IP(EA), eV:	-9.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-5-(3-methylbut-2-enyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C[C@]1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

DOS

IR

Vibrations