Geometry & MOs

Info

ID:	195727
PubChem CID:	78728611
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	409.089242
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	2.55
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)C4CC4

DOS

IR

Vibrations