Geometry & MOs

Info

ID:

417698

PubChem CID:

135102511

Reduced:

Cl2O2N3C21H25 (1)

Stoich.:

A2B2C3D21E25 (1)

Weight, g/mol:

521.263819

ΔHf, kcal/mol:

-34.49

Dipole, Da:

4.99

IP(EA), eV:

 -9.08(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,19-dimethoxy-24-methyl-9,17-dioxa-1,12,13,14,24-pentazapentacyclo[24.2.2.111,14.118,22.03,8]dotriaconta-3(8),4,6,11(32),12,18,20,22(31)-octaen-23-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)CN(C)[C@@H]3C[C@@H]4CC(=O)N(C[C@@H]4C3)C

DOS

IR

Vibrations