Geometry & MOs

Info

ID:	154640
PubChem CID:	56314125
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	3.96
IP(EA), eV:	-8.41(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CN=C(C=C2)N3CCCCCC3

DOS

IR

Vibrations