Geometry & MOs

Info

ID:	57996
PubChem CID:	24398173
Reduced:	S2N3O4C24H25 (1)
Stoich.:	A2B3C4D24E25 (1)
Weight, g/mol:	380.041998
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	4.34
IP(EA), eV:	-8.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations