Geometry & MOs

Info

ID:	239338
PubChem CID:	93166332
Reduced:	ClSN2O3C27H29 (1)
Stoich.:	ABC2D3E27F29 (1)
Weight, g/mol:	446.143092
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	5.04
IP(EA), eV:	-9.19(-0.4)
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-propylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations