Geometry & MOs

Info

ID:

304687

PubChem CID:

124766055

Reduced:

SN3O4C26H29 (1)

Stoich.:

AB3C4D26E29 (1)

Weight, g/mol:

479.187878

ΔHf, kcal/mol:

-88.88

Dipole, Da:

9.85

IP(EA), eV:

 -9.17(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5S,6S,7R)-2-N-tert-butyl-6-N-(2-methylphenyl)-4-oxo-3-(thiophen-2-ylmethyl)-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)CC5=CC=CS5)O3

DOS

IR

Vibrations