Geometry & MOs

Info

ID:	401531
PubChem CID:	135051532
Reduced:	ClNOH18C20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	312.025679
ΔH_f, kcal/mol:	31.62
Dipole, Da:	2.99
IP(EA), eV:	-8.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-tert-butyl-7lambda4,8-dithiabicyclo[4.3.0]nona-1(9),6-dien-7-yl) perchlorate

Drug info:

PubChemData

Smile

C/C=C(\C1=CC=CC=C1)/C2=C(C3=C(N2)C=CC(=C3)Cl)/C=C/OC

DOS

IR

Vibrations