Geometry & MOs

Info

ID:	239391
PubChem CID:	93166417
Reduced:	ClSN2O3C24H31 (1)
Stoich.:	ABC2D3E24F31 (1)
Weight, g/mol:	462.174392
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	4.93
IP(EA), eV:	-9.15(-0.49)
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-[(2R)-2-methylbutyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations