Geometry & MOs

Info

ID:	70852
PubChem CID:	48413952
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	368.13184
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	7.66
IP(EA), eV:	-9.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)[C@H](C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations