Geometry & MOs

Info

ID:	323913
PubChem CID:	126676581
Reduced:	ClN7H14C15 (1)
Stoich.:	AB7C14D15 (1)
Weight, g/mol:	372.065904
ΔH_f, kcal/mol:	133.86
Dipole, Da:	3.21
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-cyclopropyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations