Geometry & MOs

Info

ID:	446361
PubChem CID:	135274379
Reduced:	NC14H31 (1)
Stoich.:	AB14C31 (1)
Weight, g/mol:	582.130165
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	1.06
IP(EA), eV:	-8.34(2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R)-3-[[(2R)-2-(4-carboxybutanoylamino)-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CN(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations