Geometry & MOs

Info

ID:	236032
PubChem CID:	92711400
Reduced:	BrFOSN2C24H24 (1)
Stoich.:	ABCDE2F24G24 (1)
Weight, g/mol:	436.164306
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	4.36
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)CC(=O)NC4=C(C=C(C=C4)Br)F)C

DOS

IR

Vibrations