Geometry & MOs

Info

ID:	234321
PubChem CID:	92298174
Reduced:	BrSN4O4H9C19 (1)
Stoich.:	ABC4D4E9F19 (1)
Weight, g/mol:	378.183109
ΔH_f, kcal/mol:	76.8
Dipole, Da:	7.45
IP(EA), eV:	-9.25(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,8S)-3,8-bis[(4-methoxyphenyl)methyl]cyclooct-5-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)N4C5=C(C=C(C=N5)Br)N=C4S3)[N+](=O)[O-]

DOS

IR

Vibrations