Geometry & MOs

Info

ID:	163828
PubChem CID:	74380517
Reduced:	FSO2N6C23H25 (1)
Stoich.:	ABC2D6E23F25 (1)
Weight, g/mol:	480.126755
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	6.0
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, 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]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)NCC2CC3CC3N2C(=O)C4=C(SC(=N4)N)C5=CC(=CC=C5)F

DOS

IR

Vibrations