Geometry & MOs

Info

ID:	242748
PubChem CID:	99206051
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	373.165108
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	8.91
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations