Geometry & MOs

Info

ID:

304834

PubChem CID:

124766221

Reduced:

ClN2O4C18H21 (1)

Stoich.:

AB2C4D18E21 (1)

Weight, g/mol:

512.182648

ΔHf, kcal/mol:

-169.96

Dipole, Da:

2.24

IP(EA), eV:

 -9.64(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S,6R,7R)-2-N-tert-butyl-3-[(4-chlorophenyl)methyl]-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)C(=O)OCC

DOS

IR

Vibrations