Geometry & MOs

Info

ID:	239766
PubChem CID:	93166997
Reduced:	ClSN3O3C24H30 (1)
Stoich.:	ABC3D3E24F30 (1)
Weight, g/mol:	498.141377
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	1.21
IP(EA), eV:	-8.9(-0.18)
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-(3-methylbutyl)ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CC=C)C(=O)NC(C)C)SC=C3)Cl

DOS

IR

Vibrations