Geometry & MOs

Info

ID:	239917
PubChem CID:	93167187
Reduced:	N2S2O3C26H30 (1)
Stoich.:	A2B2C3D26E30 (1)
Weight, g/mol:	482.169785
ΔH_f, kcal/mol:	-60.51
Dipole, Da:	3.42
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations