Geometry & MOs

Info

ID:	62802
PubChem CID:	26736932
Reduced:	SF2O2N3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-136.27
Dipole, Da:	10.85
IP(EA), eV:	-8.94(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations