Geometry & MOs

Info

ID:	154195
PubChem CID:	56313600
Reduced:	S2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	4.71
IP(EA), eV:	-8.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)C2=C(C=CS2)S(=O)(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations