Geometry & MOs

Info

ID:

128181

PubChem CID:

51034033

Reduced:

F3N4O9C29H35 (1)

Stoich.:

A3B4C9D29E35 (1)

Weight, g/mol:

624.204313

ΔHf, kcal/mol:

-516.46

Dipole, Da:

6.4

IP(EA), eV:

 -8.82(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-4-(trifluoromethoxy)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(cyclopropylmethylamino)acetamide

Drug info:

PubChemData

Smile

CCCCCNCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C1O)O)O)N(C)C)OC(F)(F)F

DOS

IR

Vibrations