Geometry & MOs

Info

ID:	165558
PubChem CID:	74566403
Reduced:	NCl2O5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	453.053463
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	5.21
IP(EA), eV:	-8.35(-1.52)
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]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations