Geometry & MOs

Info

ID:	302151
PubChem CID:	124349695
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-217.54
Dipole, Da:	1.32
IP(EA), eV:	-9.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H](C1)O)N2CC[C@]3(CCC2=O)CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations