Geometry & MOs

Info

ID:	236071
PubChem CID:	92711450
Reduced:	SN2O3C29H32 (1)
Stoich.:	AB2C3D29E32 (1)
Weight, g/mol:	462.153262
ΔH_f, kcal/mol:	-28.06
Dipole, Da:	5.16
IP(EA), eV:	-8.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations