Geometry & MOs

Info

ID:	239435
PubChem CID:	93166484
Reduced:	ClN2S2O3C26H29 (1)
Stoich.:	AB2C2D3E26F29 (1)
Weight, g/mol:	490.205692
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	4.86
IP(EA), eV:	-8.98(-0.63)
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]-3-methyl-N-(3-methylbutyl)butanamide

Drug info:

PubChemData

Smile

CC(C)CCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CS4

DOS

IR

Vibrations