Geometry & MOs

Info

ID:

188955

PubChem CID:

77793953

Reduced:

N2F3O4C23H23 (1)

Stoich.:

A2B3C4D23E23 (1)

Weight, g/mol:

657.256541

ΔHf, kcal/mol:

-303.1

Dipole, Da:

7.4

IP(EA), eV:

 -9.58(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[[2-(azetidin-1-yl)-2-cyclopropylpropanoyl]amino]-8-chloro-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C(NC(=O)N(C1=O)CC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations