Geometry & MOs

Info

ID:	421378
PubChem CID:	135115894
Reduced:	SN2O6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-226.7
Dipole, Da:	7.41
IP(EA), eV:	-8.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[(3-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COC2=CC=CC(=C2)OC

DOS

IR

Vibrations