Geometry & MOs

Info

ID:	50521
PubChem CID:	12013065
Reduced:	NCl2O4S5C20H33 (1)
Stoich.:	AB2C4D5E20F33 (1)
Weight, g/mol:	609.07032
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	4.86
IP(EA), eV:	-8.88(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCS/C/1=C(/C(=C(\SCCOCCSSCCOCCS1)/Cl)/Cl)\[N+](=O)[O-]

DOS

IR

Vibrations