Geometry & MOs

Info

ID:	143064
PubChem CID:	53141979
Reduced:	ClSO2F3N5H15C21 (1)
Stoich.:	ABC2D3E5F15G21 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-125.53
Dipole, Da:	7.4
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[8-(2-ethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2=NC=CN3C2=NN(C3=O)CC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations