Geometry & MOs

Info

ID:	404629
PubChem CID:	135068004
Reduced:	BrNO2Cl3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	366.201507
ΔH_f, kcal/mol:	-25.43
Dipole, Da:	1.06
IP(EA), eV:	-9.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7R)-4-naphthalen-2-yl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine

Drug info:

PubChemData

Smile

C1C(N1C(=O)O[C@H](C2=CC=CC=C2)C(Cl)(Cl)Cl)C3=CC=CC=C3Br

DOS

IR

Vibrations