Geometry & MOs

Info

ID:	70955
PubChem CID:	48414096
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-78.12
Dipole, Da:	9.36
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations