Geometry & MOs

Info

ID:	163946
PubChem CID:	74381031
Reduced:	Cl2O2F3N7H24C27 (1)
Stoich.:	A2B2C3D7E24F27 (1)
Weight, g/mol:	539.140342
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	5.31
IP(EA), eV:	-8.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]-4-(tetrazolidin-5-ylmethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC(F)(F)F)NC(=O)C2=NN(C(=C2CC3NNNN3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

DOS

IR

Vibrations