Geometry & MOs

Info

ID:	129080
PubChem CID:	51069445
Reduced:	ClFSN3O5C29H29 (1)
Stoich.:	ABCD3E5F29G29 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	4.32
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)OC)OC4=CC(=CC=C4)F)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations