Geometry & MOs

Info

ID:

82473

PubChem CID:

49856075

Reduced:

SN2O4H12C15 (2)

Stoich.:

AB2C4D12E15 (2)

Weight, g/mol:

525.139213

ΔHf, kcal/mol:

-104.47

Dipole, Da:

17.65

IP(EA), eV:

 -9.5(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-N,N-dimethyl-1,3-thiazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)C(=O)N(C)C)/O

DOS

IR

Vibrations