Geometry & MOs

Info

ID:	172006
PubChem CID:	75453105
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	12.72
IP(EA), eV:	-9.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylethanesulfonamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCC3=NN=C(N3C)C4CC4

DOS

IR

Vibrations