Geometry & MOs

Info

ID:	236067
PubChem CID:	92711446
Reduced:	ClOSN2C25H27 (1)
Stoich.:	ABCD2E25F27 (1)
Weight, g/mol:	428.192235
ΔH_f, kcal/mol:	-1.54
Dipole, Da:	4.15
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7R)-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)CC(=O)NCC4=CC=CC=C4Cl)C

DOS

IR

Vibrations