Geometry & MOs

Info

ID:	143178
PubChem CID:	53158227
Reduced:	SF2N4O4C18H18 (1)
Stoich.:	AB2C4D4E18F18 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	-180.73
Dipole, Da:	6.33
IP(EA), eV:	-9.6(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C1=CC(=CC(=C1)F)F)S(=O)(=O)C2=CN3C=NN=C3C=C2

DOS

IR

Vibrations