Geometry & MOs

Info

ID:

304690

PubChem CID:

124766061

Reduced:

ClN4O5C25H27 (1)

Stoich.:

AB4C5D25E27 (1)

Weight, g/mol:

498.166998

ΔHf, kcal/mol:

-107.08

Dipole, Da:

10.02

IP(EA), eV:

 -9.41(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5R,6S,7R)-2-N-tert-butyl-3-(3-chloro-2-methylphenyl)-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

CC1=CC(=NO1)NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC(C)(C)C)C5=C(C(=CC=C5)Cl)C)O3

DOS

IR

Vibrations