Geometry & MOs

Info

ID:

37844

PubChem CID:

8025065

Reduced:

BrClSN2O3C13H19 (1)

Stoich.:

ABCD2E3F13G19 (1)

Weight, g/mol:

370.090662

ΔHf, kcal/mol:

-75.98

Dipole, Da:

4.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752583

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCCNS(=O)(=O)C2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations