Geometry & MOs

Info

ID:

163830

PubChem CID:

74380520

Reduced:

FSO3N4C27H27 (1)

Stoich.:

ABC3D4E27F27 (1)

Weight, g/mol:

477.127089

ΔHf, kcal/mol:

-82.99

Dipole, Da:

11.08

IP(EA), eV:

 -8.97(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)C(=O)NCC3CC4CC4N3C(=O)C5=C(SC(=N5)N)C6=CC(=CC=C6)F)C

DOS

IR

Vibrations