Geometry & MOs

Info

ID:

66348

PubChem CID:

46504400

Reduced:

ClFO3N4H26C32 (1)

Stoich.:

ABC3D4E26F32 (1)

Weight, g/mol:

640.208863

ΔHf, kcal/mol:

-5.71

Dipole, Da:

4.7

IP(EA), eV:

 -8.29(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-10-(3,4,5-trimethoxyanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NC7=CC(=CC=C7)F

DOS

IR

Vibrations