Geometry & MOs

Info

ID:	302153
PubChem CID:	124349699
Reduced:	N3O6C23H31 (1)
Stoich.:	A3B6C23D31 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-249.73
Dipole, Da:	4.16
IP(EA), eV:	-9.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN2CC[C@]3(CCC2=O)CNC(=O)C4=C(O3)C=C(C=C4)OC

DOS

IR

Vibrations