Geometry & MOs

Info

ID:	239222
PubChem CID:	93166160
Reduced:	ClSN2O4C25H25 (1)
Stoich.:	ABC2D4E25F25 (1)
Weight, g/mol:	488.117271
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	5.04
IP(EA), eV:	-8.86(-0.29)
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-(furan-2-ylmethyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N(CC2=CC=CO2)CC(=O)N3CCC4=C([C@H]3COC5=CC=C(C=C5)Cl)C=CS4

DOS

IR

Vibrations