Geometry & MOs

Info

ID:

414409

PubChem CID:

135087367

Reduced:

SO7N9C41H47 (1)

Stoich.:

AB7C9D41E47 (1)

Weight, g/mol:

437.231456

ΔHf, kcal/mol:

-136.61

Dipole, Da:

10.51

IP(EA), eV:

 -8.18(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-11-[(4-methoxypyridin-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=NOC(=C5)C6=CC=CC=C6)C

DOS

IR

Vibrations