Geometry & MOs

Info

ID:	334852
PubChem CID:	127253658
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	6.02
IP(EA), eV:	-8.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)N)C(=O)CCN3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations