Geometry & MOs

Info

ID:

388798

PubChem CID:

134990249

Reduced:

N2S2O7C30H30 (1)

Stoich.:

A2B2C7D30E30 (1)

Weight, g/mol:

560.197925

ΔHf, kcal/mol:

-198.06

Dipole, Da:

5.09

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-azido-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)OCC4=CC=CC=C4)OC)C(=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations