Geometry & MOs

Info

ID:

188671

PubChem CID:

77752556

Reduced:

SN4O8C30H40 (1)

Stoich.:

AB4C8D30E40 (1)

Weight, g/mol:

722.237013

ΔHf, kcal/mol:

-237.9

Dipole, Da:

5.42

IP(EA), eV:

 -9.49(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)C1=NC2=CC=CC=C2O1)N(C(=O)CCS(=O)(=O)CC3=CC=CC=C3)NC(=O)N(CCOC)CCOC

DOS

IR

Vibrations