Geometry & MOs

Info

ID:

304858

PubChem CID:

124766245

Reduced:

SN3O4C25H27 (1)

Stoich.:

AB3C4D25E27 (1)

Weight, g/mol:

465.172228

ΔHf, kcal/mol:

-90.66

Dipole, Da:

1.46

IP(EA), eV:

 -9.0(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5S,6S,7R)-2-N-tert-butyl-4-oxo-3-phenyl-6-N-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1C4=CC=CC=C4)C(=O)NCC5=CC=CS5

DOS

IR

Vibrations