Geometry & MOs

Info

ID:

185862

PubChem CID:

77361360

Reduced:

N3O8C31H41 (1)

Stoich.:

A3B8C31D41 (1)

Weight, g/mol:

601.255478

ΔHf, kcal/mol:

-291.84

Dipole, Da:

13.52

IP(EA), eV:

 -9.09(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-chloro-8-[[cyclopropylmethyl(2,2-dimethylpropyl)amino]methyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCC1)CN(C)CC2=CC(=C3C(=C2OC)CC4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)O)O)C(=O)N)N(C)C)O

DOS

IR

Vibrations