Geometry & MOs

Info

ID:	239268
PubChem CID:	93166220
Reduced:	ClSN2O3C27H29 (1)
Stoich.:	ABC2D3E27F29 (1)
Weight, g/mol:	496.158742
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	6.11
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations