Geometry & MOs

Info

ID:	71072
PubChem CID:	48414250
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	416.097683
ΔH_f, kcal/mol:	-76.99
Dipole, Da:	3.33
IP(EA), eV:	-9.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations