Geometry & MOs

Info

ID:	154745
PubChem CID:	56314261
Reduced:	S2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	453.125547
ΔH_f, kcal/mol:	-48.52
Dipole, Da:	2.4
IP(EA), eV:	-8.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC(=CC=C3)N(C)C

DOS

IR

Vibrations