Geometry & MOs

Info

ID:	236068
PubChem CID:	92711447
Reduced:	OSN2C27H28 (1)
Stoich.:	ABC2D27E28 (1)
Weight, g/mol:	428.192235
ΔH_f, kcal/mol:	39.84
Dipole, Da:	1.84
IP(EA), eV:	-8.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations