Geometry & MOs

Info

ID:

82025

PubChem CID:

49855499

Reduced:

S2N3O6C28H29 (1)

Stoich.:

A2B3C6D28E29 (1)

Weight, g/mol:

617.129043

ΔHf, kcal/mol:

-147.36

Dipole, Da:

14.2

IP(EA), eV:

 -9.16(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-3-(4-methylbenzoyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

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)N4CCOCC4)C5=CC=C(C=C5)C(C)C)/O

DOS

IR

Vibrations