Geometry & MOs

Info

ID:	1828
PubChem CID:	5141
Reduced:	SN3O6C16H29 (1)
Stoich.:	AB3C6D16E29 (1)
Weight, g/mol:	391.177707
ΔH_f, kcal/mol:	-294.1
Dipole, Da:	4.14
IP(EA), eV:	-9.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

DOS

IR

Vibrations