Geometry & MOs

Info

ID:	378060
PubChem CID:	134224129
Reduced:	SN2O2F3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	399.152511
ΔH_f, kcal/mol:	-223.44
Dipole, Da:	5.58
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(difluoromethyl)-N-(3-hexan-2-yloxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)OC1=CC=CC(=C1C)NC(=O)C2=C(N=C(S2)C(F)(F)F)CC

DOS

IR

Vibrations