Geometry & MOs

Info

ID:	398641
PubChem CID:	135034510
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	529.301221
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	3.55
IP(EA), eV:	-9.19(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(1S,5R,9aS)-3,3-ditert-butyl-1-phenyl-4,5,7,8,9,9a-hexahydro-1H-2,3-benzoxasilepin-5-yl]-1-phenylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCCCCC1=CN(CCCC1=O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations