Geometry & MOs

Info

ID:	168689
PubChem CID:	75002910
Reduced:	PN3O7C13H20 (1)
Stoich.:	AB3C7D13E20 (1)
Weight, g/mol:	601.1849
ΔH_f, kcal/mol:	-338.8
Dipole, Da:	6.84
IP(EA), eV:	-10.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-benzoyl-4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(=O)N)OCC1C=CC(O1)N2CC(C(=O)NC2=O)C

DOS

IR

Vibrations