Geometry & MOs

Info

ID:	70944
PubChem CID:	48414075
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	350.155432
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	5.71
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations