Geometry & MOs

Info

ID:	131715
PubChem CID:	51250127
Reduced:	ClF2N3O3H14C18 (1)
Stoich.:	AB2C3D3E14F18 (1)
Weight, g/mol:	312.198383
ΔH_f, kcal/mol:	-175.92
Dipole, Da:	1.65
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octan-2-yl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)F)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations