Geometry & MOs

Info

ID:

304620

PubChem CID:

124765987

Reduced:

N3O4C30H33 (1)

Stoich.:

A3B4C30D33 (1)

Weight, g/mol:

499.247107

ΔHf, kcal/mol:

-110.34

Dipole, Da:

5.72

IP(EA), eV:

 -8.6(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC(C)(C)C)C5=CC6=C(CCC6)C=C5)O3

DOS

IR

Vibrations