Geometry & MOs

Info

ID:	154814
PubChem CID:	56314339
Reduced:	BrSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	488.222369
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	5.66
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations