Geometry & MOs

Info

ID:	650
PubChem CID:	3142
Reduced:	SN2O8C21H30 (1)
Stoich.:	AB2C8D21E30 (1)
Weight, g/mol:	470.172287
ΔH_f, kcal/mol:	-335.17
Dipole, Da:	1.56
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]ethyl]-2-ethoxycarbonyloxyphenyl] ethyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC(=O)C)OC(=O)OCC

DOS

IR

Vibrations