Geometry & MOs

Info

ID:	239246
PubChem CID:	93166188
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	496.158742
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	5.3
IP(EA), eV:	-8.91(-0.42)
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-propan-2-ylbenzamide

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