Geometry & MOs

Info

ID:	236061
PubChem CID:	92711437
Reduced:	OSN2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	442.12819
ΔH_f, kcal/mol:	0.32
Dipole, Da:	3.06
IP(EA), eV:	-8.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-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)NC4CC4)C

DOS

IR

Vibrations