Geometry & MOs

Info

ID:	165557
PubChem CID:	74566276
Reduced:	NCl2O5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	483.064028
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	4.18
IP(EA), eV:	-8.97(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)C=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=C(O4)CO

DOS

IR

Vibrations