Geometry & MOs

Info

ID:	150833
PubChem CID:	53790529
Reduced:	NOSC16H17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	408.150112
ΔH_f, kcal/mol:	19.84
Dipole, Da:	1.42
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[4,5-bis[(2-sulfanylacetyl)amino]pentanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)C2=C(SN=C2)C3CC3)C)C

DOS

IR

Vibrations