Geometry & MOs

Info

ID:

163955

PubChem CID:

74381050

Reduced:

ClF3O4N7H27C28 (1)

Stoich.:

AB3C4D7E27F28 (1)

Weight, g/mol:

467.179124

ΔHf, kcal/mol:

-256.54

Dipole, Da:

5.71

IP(EA), eV:

 -9.2(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2CC(=O)NC2=O)C(=O)NC3CC4=CC(=C5C(=C4CN(C3=O)CC6=CC=C(C=C6)C(F)(F)F)C=NN5)Cl

DOS

IR

Vibrations