Geometry & MOs

Info

ID:

190560

PubChem CID:

78020986

Reduced:

N3O3C33H67 (1)

Stoich.:

A3B3C33D67 (1)

Weight, g/mol:

858.441509

ΔHf, kcal/mol:

-230.66

Dipole, Da:

5.13

IP(EA), eV:

 -9.23(2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

27-[[(4-cyclopentylpiperazin-1-yl)amino]methylidene]-2,13,15-trihydroxy-11-methoxy-3,7,12,14,16,19,23,31-octamethyl-8,18,32-trioxa-25-azapentacyclo[24.3.1.14,7.117,19.05,29]dotriaconta-1(29),2,4,9,20,22,25-heptaene-6,24,28,30-tetrone

Drug info:

PubChemData

Smile

CCC(CC1CCC(C1(C)C(CC(C)C2(CCC(CC2)OCCCN)C)OCCCN)C(C)C)OCCCN

DOS

IR

Vibrations