Geometry & MOs

Info

ID:	166993
PubChem CID:	74762982
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	473.144299
ΔH_f, kcal/mol:	-155.01
Dipole, Da:	5.35
IP(EA), eV:	-10.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@]12CCC(=C1[C@@H]3CC(C[C@@H]3[C@@H]2O)(C)C)C(=O)O

DOS

IR

Vibrations