Geometry & MOs

Info

ID:	351151
PubChem CID:	127279709
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-121.86
Dipole, Da:	5.27
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azatricyclo[4.3.1.13,8]undecan-4-yl(1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=C(S4)CCOC5

DOS

IR

Vibrations