Geometry & MOs

Info

ID:	426055
PubChem CID:	135135676
Reduced:	N2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	576.140274
ΔH_f, kcal/mol:	101.43
Dipole, Da:	5.79
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]-1-[3-[[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]phenyl]pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C=C=NN=C2

DOS

IR

Vibrations