Geometry & MOs

Info

ID:	155714
PubChem CID:	56367110
Reduced:	BrClNF2S2O3H13C16 (1)
Stoich.:	ABCD2E2F3G13H16 (1)
Weight, g/mol:	399.098367
ΔH_f, kcal/mol:	-187.07
Dipole, Da:	5.9
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-5-cyclopropylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CS(=O)(=O)CC(=O)NC2=C(C(=CC=C2)Cl)SC(F)F

DOS

IR

Vibrations