Geometry & MOs

Info

ID:

304835

PubChem CID:

124766222

Reduced:

ClN4O5C26H29 (1)

Stoich.:

AB4C5D26E29 (1)

Weight, g/mol:

512.182648

ΔHf, kcal/mol:

-118.07

Dipole, Da:

10.4

IP(EA), eV:

 -9.0(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R,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

CC1=CC(=NO1)NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC(C)(C)C)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations