Geometry & MOs

Info

ID:	50520
PubChem CID:	12013064
Reduced:	NCl2O3S3C18H29 (1)
Stoich.:	AB2C3D3E18F29 (1)
Weight, g/mol:	581.03902
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	5.62
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12Z,14E)-12,13-dichloro-14-nitro-15-octylsulfanyl-1,8-dioxa-4,5,11,16-tetrathiacyclooctadeca-12,14-diene

Drug info:

PubChemData

Smile

CCCCCCCCCCS/C/1=C(/C(=C(\SCCOCCS1)/Cl)/Cl)\[N+](=O)[O-]

DOS

IR

Vibrations