Geometry & MOs

Info

ID:

302152

PubChem CID:

124349698

Reduced:

N3O5C24H33 (1)

Stoich.:

A3B5C24D33 (1)

Weight, g/mol:

445.221286

ΔHf, kcal/mol:

-127.47

Dipole, Da:

4.43

IP(EA), eV:

 -9.28(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methoxyspiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-2',5-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CN2CC[C@]3(CCC2=O)CNC(=O)C4=C(O3)C=C(C=C4)OC)C

DOS

IR

Vibrations