Geometry & MOs

Info

ID:	239416
PubChem CID:	93166454
Reduced:	ClSN2O3C24H29 (1)
Stoich.:	ABC2D3E24F29 (1)
Weight, g/mol:	524.153656
ΔH_f, kcal/mol:	-75.75
Dipole, Da:	5.09
IP(EA), eV:	-9.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N(CC1CC1)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations