Geometry & MOs

Info

ID:	392562
PubChem CID:	135017171
Reduced:	SO7H26C28 (1)
Stoich.:	AB7C26D28 (1)
Weight, g/mol:	378.169882
ΔH_f, kcal/mol:	-219.44
Dipole, Da:	3.1
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-4-[[(2R)-3-tert-butylsulfanyl-1-(carboxymethylamino)-2-methyl-1-oxopropan-2-yl]amino]-1-carboxy-4-oxobutyl]azanium

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations