Geometry & MOs

Info

ID:

184498

PubChem CID:

77169695

Reduced:

NO5C22H31 (1)

Stoich.:

AB5C22D31 (1)

Weight, g/mol:

766.165593

ΔHf, kcal/mol:

-236.1

Dipole, Da:

3.97

IP(EA), eV:

 -10.14(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)OC)CCC4C3(C=CC(=O)N4C(=O)OC)C

DOS

IR

Vibrations