Geometry & MOs

Info

ID:	181855
PubChem CID:	76804303
Reduced:	NO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	478.168619
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	3.68
IP(EA), eV:	-8.6(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-3-(4-methoxyphenoxy)propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1(C2CC3=C(C1(CCN2C(=O)C4CCCC4)C)C=CC=C3OC)C

DOS

IR

Vibrations