Geometry & MOs

Info

ID:	70960
PubChem CID:	48414104
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	5.43
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-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)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations