Geometry & MOs

Info

ID:	140926
PubChem CID:	52784888
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	8.25
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@H](C)NC(=O)[C@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations