Geometry & MOs

Info

ID:

82635

PubChem CID:

49856268

Reduced:

S2F3N3O6H22C30 (1)

Stoich.:

A2B3C3D6E22F30 (1)

Weight, g/mol:

501.030057

ΔHf, kcal/mol:

-194.7

Dipole, Da:

11.34

IP(EA), eV:

 -9.07(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclopropyl-3-(furan-2-carbonyl)-4-hydroxy-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=C(S3)SC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(F)(F)F)/O

DOS

IR

Vibrations