Geometry & MOs

Info

ID:	129079
PubChem CID:	51069375
Reduced:	O3N4C27H34 (1)
Stoich.:	A3B4C27D34 (1)
Weight, g/mol:	585.150048
ΔH_f, kcal/mol:	-28.0
Dipole, Da:	6.43
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methylpyrazol-4-yl]methyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2CC2)C(=O)NC(C)(C)C)OC3=CC=CC=C3OC)C4=CC=CC=C4

DOS

IR

Vibrations