Geometry & MOs

Info

ID:

238578

PubChem CID:

92741974

Reduced:

SN3O4C24H35 (1)

Stoich.:

AB3C4D24E35 (1)

Weight, g/mol:

498.139548

ΔHf, kcal/mol:

-191.13

Dipole, Da:

12.12

IP(EA), eV:

 -9.19(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N([C@H](C4)C)C(=O)C

DOS

IR

Vibrations