Geometry & MOs

Info

ID:

433275

PubChem CID:

135173412

Reduced:

SN5O5C31H33 (1)

Stoich.:

AB5C5D31E33 (1)

Weight, g/mol:

555.230411

ΔHf, kcal/mol:

-63.75

Dipole, Da:

5.45

IP(EA), eV:

 -8.36(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[3-[[4-(dimethylamino)-2-(hydroxymethyl)phenyl]diazenyl]anilino]sulfanyl-4-methoxyphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC)CO

DOS

IR

Vibrations