Geometry & MOs

Info

ID:	151708
PubChem CID:	56269733
Reduced:	SO2N5H23C26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	43.2
Dipole, Da:	4.78
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)sulfonylamino]-N-[3-(5-methylpyrazol-1-yl)phenyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

DOS

IR

Vibrations