Geometry & MOs

Info

ID:	239465
PubChem CID:	93166532
Reduced:	ClSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	494.143092
ΔH_f, kcal/mol:	-99.67
Dipole, Da:	2.47
IP(EA), eV:	-9.08(-0.31)
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-methyl-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations