Geometry & MOs

Info

ID:

163988

PubChem CID:

74381291

Reduced:

FSO2N4H23C27 (1)

Stoich.:

ABC2D4E23F27 (1)

Weight, g/mol:

467.179124

ΔHf, kcal/mol:

-6.76

Dipole, Da:

5.11

IP(EA), eV:

 -9.34(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-N-[[2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3C(CC4C3C4)CNC(=O)C5=NC6=CC=CC=C6C=C5

DOS

IR

Vibrations