Geometry & MOs

Info

ID:	189831
PubChem CID:	77910517
Reduced:	O4N5C26H37 (1)
Stoich.:	A4B5C26D37 (1)
Weight, g/mol:	534.215472
ΔH_f, kcal/mol:	-164.02
Dipole, Da:	4.42
IP(EA), eV:	-8.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-naphthalen-2-yl-3-oxo-3-[(6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)amino]prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CC(CN(C)C(=O)NC)O

DOS

IR

Vibrations