Geometry & MOs

Info

ID:

433286

PubChem CID:

135173423

Reduced:

SN4O5C33H34 (1)

Stoich.:

AB4C5D33E34 (1)

Weight, g/mol:

578.198777

ΔHf, kcal/mol:

-99.32

Dipole, Da:

8.41

IP(EA), eV:

 -8.26(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-methoxy-3-[3-[[2-(3-methylanilino)-3,4-dioxocyclobuten-1-yl]amino]anilino]sulfanylphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCN(C2)C3=CC=CC(=C3)NS(=O)(=O)C4=C(C=CC(=C4)C5=CC(=CC=C5)C(=O)N(C)C)OC

DOS

IR

Vibrations