Geometry & MOs

Info

ID:	236052
PubChem CID:	92711423
Reduced:	OSN2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	396.223535
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	1.72
IP(EA), eV:	-8.77(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC(=O)NC4CCCCC4)C

DOS

IR

Vibrations