Geometry & MOs

Info

ID:	70929
PubChem CID:	48414060
Reduced:	FSO3N4C16H21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	4.55
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations