Geometry & MOs

Info

ID:

82026

PubChem CID:

49855500

Reduced:

S2N3O7H27C31 (1)

Stoich.:

A2B3C7D27E31 (1)

Weight, g/mol:

477.172228

ΔHf, kcal/mol:

-76.01

Dipole, Da:

8.4

IP(EA), eV:

 -9.52(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-4-methoxy-3-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)C)C4=NC=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])OC

DOS

IR

Vibrations