Geometry & MOs

Info

ID:	244691
PubChem CID:	99376419
Reduced:	SF2O2N3C17H17 (1)
Stoich.:	AB2C2D3E17F17 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	4.57
IP(EA), eV:	-8.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC(=O)NCCC(=O)NCC2=CC=NC=C2)F)F

DOS

IR

Vibrations