Geometry & MOs

Info

ID:

376915

PubChem CID:

134222948

Reduced:

FSO2N7C24H24 (1)

Stoich.:

ABC2D7E24F24 (1)

Weight, g/mol:

493.169622

ΔHf, kcal/mol:

33.13

Dipole, Da:

2.12

IP(EA), eV:

 -8.98(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=N[C@]2(CC(C[C@H]2CS1)OC3CC3)C4=C(C=CC(=C4)NC(=O)C5=CN=C(C=N5)N6C=NC=N6)F

DOS

IR

Vibrations