Geometry & MOs

Info

ID:	153651
PubChem CID:	56312936
Reduced:	ClN3O3S3C21H22 (1)
Stoich.:	AB3C3D3E21F22 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	7.34
IP(EA), eV:	-8.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-2-(3-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)N3CCN(CC3)CC4=CC=C(S4)Cl

DOS

IR

Vibrations