Geometry & MOs

Info

ID:	150173
PubChem CID:	53789860
Reduced:	SO4C8H16 (1)
Stoich.:	AB4C8D16 (1)
Weight, g/mol:	331.081773
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	1.26
IP(EA), eV:	-10.21(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diamino-9,10-dioxo-3-(tetrazol-2-yl)anthracene-2-carbonitrile

Drug info:

PubChemData

Smile

CCOS(=O)(=O)CCCCCC=O

DOS

IR

Vibrations