Geometry & MOs

Info

ID:	165559
PubChem CID:	74566404
Reduced:	NCl2O4H17C24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	467.069114
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	4.59
IP(EA), eV:	-8.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)CO)NC(=O)C=CC3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations