Geometry & MOs

Info

ID:	120964
PubChem CID:	50751927
Reduced:	SO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	48.94
Dipole, Da:	8.75
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C=C)C3=NN4C(=CC(=NC4=N3)C)C

DOS

IR

Vibrations