Geometry & MOs

Info

ID:	429920
PubChem CID:	135169975
Reduced:	ClO2F3N7H23C24 (1)
Stoich.:	AB2C3D7E23F24 (1)
Weight, g/mol:	256.012948
ΔH_f, kcal/mol:	-123.32
Dipole, Da:	7.33
IP(EA), eV:	-9.26(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-(trifluoromethylsulfanyloxy)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(=C(N(N1)C2=CN=CC3=CC=CC=C32)C(F)(F)F)C(=O)NC4=CC(=C(N=C4)C(=O)NCCCCN)Cl

DOS

IR

Vibrations