Geometry & MOs

Info

ID:	165001
PubChem CID:	74481654
Reduced:	FN2O5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	404.1139
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	10.24
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)-[1-[2-(dimethylazaniumyl)ethyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

C[NH+](C)CCN1C(C(=C(C2=C(C=CC(=C2)F)OC)[O-])C(=O)C1=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations