Geometry & MOs

Info

ID:	236069
PubChem CID:	92711448
Reduced:	OSN2C27H28 (1)
Stoich.:	ABC2D27E28 (1)
Weight, g/mol:	488.213364
ΔH_f, kcal/mol:	40.77
Dipole, Da:	1.56
IP(EA), eV:	-8.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethoxyphenyl)-4-[[(7R)-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=CC=CC=C5)C)C

DOS

IR

Vibrations