Geometry & MOs

Info

ID:	239286
PubChem CID:	93166258
Reduced:	ClSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	514.088469
ΔH_f, kcal/mol:	-56.05
Dipole, Da:	5.12
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-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=CO5

DOS

IR

Vibrations