Geometry & MOs

Info

ID:	341846
PubChem CID:	127264539
Reduced:	ClNC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	308.104208
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	1.46
IP(EA), eV:	-8.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=CC=CC2=CC=CC=C21.Cl.Cl

DOS

IR

Vibrations