Geometry & MOs

Info

ID:

420137

PubChem CID:

135111372

Reduced:

SN6O8C33H44 (1)

Stoich.:

AB6C8D33E44 (1)

Weight, g/mol:

345.205242

ΔHf, kcal/mol:

-260.37

Dipole, Da:

8.22

IP(EA), eV:

 -9.23(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-7-[1-(3-methoxyphenyl)piperidin-4-yl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)S(=O)(=O)C3=CC=C(O3)C4=C(C(=NO4)C)C

DOS

IR

Vibrations