Geometry & MOs

Info

ID:	239431
PubChem CID:	93166480
Reduced:	ClSN2O3C23H29 (1)
Stoich.:	ABC2D3E23F29 (1)
Weight, g/mol:	476.190042
ΔH_f, kcal/mol:	-113.62
Dipole, Da:	5.28
IP(EA), eV:	-8.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations