Geometry & MOs

Info

ID:	236055
PubChem CID:	92711427
Reduced:	OSN2C26H28 (1)
Stoich.:	ABC2D26E28 (1)
Weight, g/mol:	416.192235
ΔH_f, kcal/mol:	15.64
Dipole, Da:	4.92
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C54)C

DOS

IR

Vibrations