Geometry & MOs

Info

ID:	157168
PubChem CID:	56422216
Reduced:	SO2N6H20C22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	44.47
Dipole, Da:	5.14
IP(EA), eV:	-9.53(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations