Geometry & MOs

Info

ID:	38476
PubChem CID:	8122621
Reduced:	ClFSO2N3H13C18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	2.44
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations