Geometry & MOs

Info

ID:	142731
PubChem CID:	53082624
Reduced:	FOSN5H14C18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	437.032493
ΔH_f, kcal/mol:	34.11
Dipole, Da:	8.33
IP(EA), eV:	-8.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC3=CC=CC=C3N4C2=NN=C4

DOS

IR

Vibrations