Geometry & MOs

Info

ID:

422099

PubChem CID:

135117195

Reduced:

OSN5C22H23 (1)

Stoich.:

ABC5D22E23 (1)

Weight, g/mol:

491.253255

ΔHf, kcal/mol:

53.54

Dipole, Da:

3.6

IP(EA), eV:

 -9.01(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(26R,28R)-7-methoxy-28-methyl-9,17-dioxa-1,12,13,14,25-pentazapentacyclo[24.2.2.111,14.118,22.03,8]dotriaconta-3(8),4,6,11(32),12,18,20,22(31)-octaen-24-one

Drug info:

PubChemData

Smile

CNC1=NC(=CS1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations