Geometry & MOs

Info

ID:	1826
PubChem CID:	5137
Reduced:	SN3O6C17H23 (1)
Stoich.:	AB3C6D17E23 (1)
Weight, g/mol:	397.130757
ΔH_f, kcal/mol:	-252.22
Dipole, Da:	3.54
IP(EA), eV:	-9.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[3-benzylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

DOS

IR

Vibrations