Geometry & MOs

Info

ID:	239219
PubChem CID:	93166155
Reduced:	ClSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	458.106706
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	3.84
IP(EA), eV:	-9.25(-0.46)
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-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations