Geometry & MOs

Info

ID:	154258
PubChem CID:	56313666
Reduced:	FNO3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	429.127089
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	3.65
IP(EA), eV:	-8.72(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations