Geometry & MOs

Info

ID:	268460
PubChem CID:	103599481
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	449.175084
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	5.13
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations