Geometry & MOs

Info

ID:

419500

PubChem CID:

135108288

Reduced:

N5O7C34H45 (1)

Stoich.:

A5B7C34D45 (1)

Weight, g/mol:

380.140593

ΔHf, kcal/mol:

-257.06

Dipole, Da:

9.39

IP(EA), eV:

 -8.12(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-7-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CC3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations