Geometry & MOs

Info

ID:	268429
PubChem CID:	103599340
Reduced:	FSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	419.122354
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	6.95
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)CNC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations