Geometry & MOs

Info

ID:	168802
PubChem CID:	75020754
Reduced:	ClS2N4O5C30H45 (1)
Stoich.:	AB2C4D5E30F45 (1)
Weight, g/mol:	495.195855
ΔH_f, kcal/mol:	-258.21
Dipole, Da:	3.78
IP(EA), eV:	-8.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-4-(ethylamino)-3,4-dioxobutan-2-yl]-3-methyl-2-[3-(thiolan-2-yl)propanoylamino]butanamide

Drug info:

PubChemData

Smile

CCNC(=O)C(=O)C(CC1=CC=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)CCCCNC(=O)CCCCC2CCSS2

DOS

IR

Vibrations