Geometry & MOs

Info

ID:	239245
PubChem CID:	93166187
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	4.87
IP(EA), eV:	-9.18(-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]-2-methoxy-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations