Geometry & MOs

Info

ID:	43918
PubChem CID:	10321979
Reduced:	NS3O6C19H25 (1)
Stoich.:	AB3C6D19E25 (1)
Weight, g/mol:	459.25154
ΔH_f, kcal/mol:	-215.94
Dipole, Da:	10.07
IP(EA), eV:	-9.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-sulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C[C@H](C(C)C)OS(=O)(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations