Geometry & MOs

Info

ID:	137735
PubChem CID:	52255250
Reduced:	ClOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	392.161518
ΔH_f, kcal/mol:	38.3
Dipole, Da:	5.95
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)N(CCC(=O)NC2=C(C=CS2)C#N)C3CC3

DOS

IR

Vibrations