Geometry & MOs

Info

ID:

180097

PubChem CID:

76576480

Reduced:

ClFSO3N4H20C26 (1)

Stoich.:

ABCD3E4F20G26 (1)

Weight, g/mol:

437.113331

ΔHf, kcal/mol:

-46.36

Dipole, Da:

7.22

IP(EA), eV:

 -9.31(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-(difluoromethoxy)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(SC(=C2)C(=O)NC(CC3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C4=O)Cl

DOS

IR

Vibrations