Geometry & MOs

Info

ID:	64948
PubChem CID:	29204237
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	286.111756
ΔH_f, kcal/mol:	-139.62
Dipole, Da:	4.9
IP(EA), eV:	-9.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations