Geometry & MOs

Info

ID:	129092
PubChem CID:	51069826
Reduced:	SO2N3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	471.159434
ΔH_f, kcal/mol:	54.26
Dipole, Da:	6.3
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)CN(CC4CC4)C(=O)C5=CC=CS5

DOS

IR

Vibrations