Geometry & MOs

Info

ID:	46953
PubChem CID:	10528634
Reduced:	NSO5C26H39 (1)
Stoich.:	ABC5D26E39 (1)
Weight, g/mol:	477.233765
ΔH_f, kcal/mol:	-221.29
Dipole, Da:	6.6
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclohexyl-6-methoxy-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C

DOS

IR

Vibrations