Geometry & MOs

Info

ID:	302142
PubChem CID:	124349677
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-209.05
Dipole, Da:	2.16
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)CN2CC[C@]3(CCC2=O)NC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations