Geometry & MOs

Info

ID:	190338
PubChem CID:	77989623
Reduced:	S2N3O6C9H15 (1)
Stoich.:	A2B3C6D9E15 (1)
Weight, g/mol:	438.124292
ΔH_f, kcal/mol:	-263.6
Dipole, Da:	6.6
IP(EA), eV:	-9.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[[3-(tert-butyldisulfanyl)-1-(carboxymethylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

C(C(C(=O)NCC(=O)O)NC(=O)SCC(C(=O)O)N)S

DOS

IR

Vibrations