Geometry & MOs

Info

ID:	236072
PubChem CID:	92711452
Reduced:	ClOSN2C27H27 (1)
Stoich.:	ABCD2E27F27 (1)
Weight, g/mol:	377.181336
ΔH_f, kcal/mol:	34.24
Dipole, Da:	2.09
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-ethyl-2-methyl-6-(2-phenoxyethyl)-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)CC4=C(OC(=N4)C5=CC=CC=C5Cl)C)C

DOS

IR

Vibrations