Geometry & MOs

Info

ID:

80033

PubChem CID:

49832319

Reduced:

ClON8C26H31 (1)

Stoich.:

ABC8D26E31 (1)

Weight, g/mol:

754.331772

ΔHf, kcal/mol:

57.04

Dipole, Da:

4.35

IP(EA), eV:

 -7.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

36-chloro-32-hydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-23,33(38),34,36-tetraene-2,9,12,19,26,29-hexone

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=CC=C2NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)N5CCC(CC5)N(C)C)OC

DOS

IR

Vibrations