Geometry & MOs

Info

ID:	84516
PubChem CID:	49867180
Reduced:	N5H15C16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	336.154135
ΔH_f, kcal/mol:	137.93
Dipole, Da:	1.36
IP(EA), eV:	-6.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-[[(6R)-6,8-bis(sulfanyl)octanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=[N+]2C(=N1)[NH+]=CN2)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations