Geometry & MOs

Info

ID:	70925
PubChem CID:	48414056
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	4.02
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations