Geometry & MOs

Info

ID:	239305
PubChem CID:	93166287
Reduced:	SCl2N2O3H24C26 (1)
Stoich.:	AB2C2D3E24F26 (1)
Weight, g/mol:	514.088469
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	5.03
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-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(=CC=C5)Cl

DOS

IR

Vibrations