Geometry & MOs

Info

ID:	357374
PubChem CID:	127294007
Reduced:	S2N3O4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	368.155849
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	4.62
IP(EA), eV:	-9.61(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations