Geometry & MOs

Info

ID:	239364
PubChem CID:	93166368
Reduced:	ClSN2O3C26H33 (1)
Stoich.:	ABC2D3E26F33 (1)
Weight, g/mol:	464.153656
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	2.96
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4CCCC4

DOS

IR

Vibrations