Geometry & MOs

Info

ID:

49886

PubChem CID:

11534127

Reduced:

ClF2S2O3N4C24H25 (1)

Stoich.:

AB2C2D3E4F24G25 (1)

Weight, g/mol:

554.170072

ΔHf, kcal/mol:

-149.24

Dipole, Da:

7.87

IP(EA), eV:

 -8.94(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl)CN4CCC(=O)NCC4

DOS

IR

Vibrations