Geometry & MOs

Info

ID:	154007
PubChem CID:	56313367
Reduced:	FSN3O4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	455.222035
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	4.52
IP(EA), eV:	-9.09(-0.82)
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-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)S(=O)(=O)N

DOS

IR

Vibrations