Geometry & MOs

Info

ID:	168803
PubChem CID:	75020755
Reduced:	ClSN3O4C24H34 (1)
Stoich.:	ABC3D4E24F34 (1)
Weight, g/mol:	599.14871
ΔH_f, kcal/mol:	-180.9
Dipole, Da:	5.12
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)-4-(ethylamino)-3,4-dioxobutan-2-yl]-2-[5-(dithiolan-3-yl)pentanoylamino]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCNC(=O)C(=O)C(CC1=CC=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)CCC2CCCS2

DOS

IR

Vibrations