Geometry & MOs

Info

ID:	70741
PubChem CID:	48413803
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	396.128983
ΔH_f, kcal/mol:	-65.76
Dipole, Da:	4.37
IP(EA), eV:	-9.09(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CNC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations