Geometry & MOs

Info

ID:	31714
PubChem CID:	865168
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	328.115796
ΔH_f, kcal/mol:	-174.13
Dipole, Da:	3.14
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)NCC2=CC=CO2

DOS

IR

Vibrations