Geometry & MOs

Info

ID:

301121

PubChem CID:

123059952

Reduced:

NO2C16H17 (2)

Stoich.:

AB2C16D17 (2)

Weight, g/mol:

538.156243

ΔHf, kcal/mol:

-83.73

Dipole, Da:

7.34

IP(EA), eV:

 -7.78(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)N3C(/C(=C(/C4=CC(=CC=C4)OC(C)C)\O)/C(=O)C3=O)C5=CC=CC=C5

DOS

IR

Vibrations