Geometry & MOs

Info

ID:	239447
PubChem CID:	93166506
Reduced:	ClSN2O3C29H33 (1)
Stoich.:	ABC2D3E29F33 (1)
Weight, g/mol:	470.106706
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	5.34
IP(EA), eV:	-8.93(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCC(C)C)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations