Geometry & MOs

Info

ID:

149802

PubChem CID:

53789479

Reduced:

NS2O4C20H25 (1)

Stoich.:

AB2C4D20E25 (1)

Weight, g/mol:

574.209735

ΔHf, kcal/mol:

-145.65

Dipole, Da:

9.32

IP(EA), eV:

 -9.04(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrobenzoyl) (4R)-6-(1-hydroxyethyl)-3-[(5S)-5-[hydroxy-(1-methylazetidin-3-yl)methyl]-1-methylpyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=C(C(=C1)C(C)CC)O)C=C2C(=O)N(C(=S)S2)CC(=O)O

DOS

IR

Vibrations