Geometry & MOs

Info

ID:	167104
PubChem CID:	74780443
Reduced:	SO2N5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	472.162077
ΔH_f, kcal/mol:	18.16
Dipole, Da:	4.97
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C2CN(CCC2=C1CNC(=O)CSC3=NC=CC=N3)C(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations