Geometry & MOs

Info

ID:	155384
PubChem CID:	56353017
Reduced:	SCl2O2N3C19H25 (1)
Stoich.:	AB2C2D3E19F25 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	-107.94
Dipole, Da:	4.39
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3,4-dichlorophenyl)propan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

DOS

IR

Vibrations