Geometry & MOs

Info

ID:	154950
PubChem CID:	56314506
Reduced:	FSO2N4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	469.237685
ΔH_f, kcal/mol:	-16.28
Dipole, Da:	1.87
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations