Geometry & MOs

Info

ID:	239795
PubChem CID:	93167036
Reduced:	SN2O4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	534.255229
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	6.38
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)COC

DOS

IR

Vibrations