Geometry & MOs

Info

ID:	315055
PubChem CID:	126624297
Reduced:	NO5C22H41 (1)
Stoich.:	AB5C22D41 (1)
Weight, g/mol:	421.224657
ΔH_f, kcal/mol:	-306.72
Dipole, Da:	4.77
IP(EA), eV:	-9.25(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-[[5-(2-amino-4-carboxybutanoyl)oxy-5-methyl-2-sulfanylhexan-2-yl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(C)(C)CCC(C)(C)OC(=O)C(CCC(=O)OC(C)(C)C)N

DOS

IR

Vibrations