Geometry & MOs

Info

ID:	83905
PubChem CID:	49862334
Reduced:	O3N6C30H32 (1)
Stoich.:	A3B6C30D32 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	3.06
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC=C2)C3=CC=CC(=C3)CNC(=O)CNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations