Geometry & MOs

Info

ID:	137461
PubChem CID:	52211418
Reduced:	ClN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	5.19
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)NNC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations