Geometry & MOs

Info

ID:	154403
PubChem CID:	56313830
Reduced:	ClS2N3O4H16C19 (1)
Stoich.:	AB2C3D4E16F19 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	2.65
IP(EA), eV:	-8.75(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations