Geometry & MOs

Info

ID:

335527

PubChem CID:

127254389

Reduced:

NO5H29C36 (1)

Stoich.:

AB5C29D36 (1)

Weight, g/mol:

395.141596

ΔHf, kcal/mol:

10.03

Dipole, Da:

5.15

IP(EA), eV:

 -8.18(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=C(C(=CC=C7)OC)OC

DOS

IR

Vibrations