Geometry & MOs

Info

ID:

219663

PubChem CID:

85164400

Reduced:

S3N5O12C14H23 (1)

Stoich.:

A3B5C12D14E23 (1)

Weight, g/mol:

547.195465

ΔHf, kcal/mol:

-445.71

Dipole, Da:

5.94

IP(EA), eV:

 -10.03(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(4-hydroxy-3,5-dimethoxyanilino)-10-(4-hydroxy-3,5-dimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C(C(C(O2)(COS(=O)(=O)C)COS(=O)(=O)C)N=[N+]=[N-])OS(=O)(=O)C

DOS

IR

Vibrations