Geometry & MOs

Info

ID:	153976
PubChem CID:	56313334
Reduced:	SCl2N3O4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	475.22712
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	3.19
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCN2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=O

DOS

IR

Vibrations