Geometry & MOs

Info

ID:	236054
PubChem CID:	92711425
Reduced:	OSN2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	416.192235
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	2.29
IP(EA), eV:	-8.78(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-[(7R)-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)NC(C)(C)C)C

DOS

IR

Vibrations