Geometry & MOs

Info

ID:	161803
PubChem CID:	57392726
Reduced:	FSN2O4C26H35 (1)
Stoich.:	ABC2D4E26F35 (1)
Weight, g/mol:	460.175596
ΔH_f, kcal/mol:	-180.36
Dipole, Da:	5.35
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)CN3CCC(CC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations