Geometry & MOs

Info

ID:	302154
PubChem CID:	124349701
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	429.226371
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	5.64
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)CN2C[C@]3(CCC(=O)N(CC3)C)OC4=CC=CC=C4C2=O)C

DOS

IR

Vibrations