Geometry & MOs

Info

ID:	239287
PubChem CID:	93166262
Reduced:	SCl2N2O3H24C26 (1)
Stoich.:	AB2C2D3E24F26 (1)
Weight, g/mol:	510.138006
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	4.92
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations