Geometry & MOs

Info

ID:	239292
PubChem CID:	93166269
Reduced:	ClSN2O3H25C26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	480.127441
ΔH_f, kcal/mol:	-29.1
Dipole, Da:	5.58
IP(EA), eV:	-8.93(-0.56)
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-cyclopropylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations