Geometry & MOs

Info

ID:

423029

PubChem CID:

135118806

Reduced:

N5O5C40H47 (1)

Stoich.:

A5B5C40D47 (1)

Weight, g/mol:

420.227374

ΔHf, kcal/mol:

-163.19

Dipole, Da:

3.4

IP(EA), eV:

 -8.45(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-ylmethyl)-11-[(5-methylpyrazin-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC(=C5)C6=CC=CC=C6OC)C(C)C

DOS

IR

Vibrations