Geometry & MOs

Info

ID:	444505
PubChem CID:	135262699
Reduced:	SO2F3N5C27H28 (1)
Stoich.:	AB2C3D5E27F28 (1)
Weight, g/mol:	449.19978
ΔH_f, kcal/mol:	-169.4
Dipole, Da:	6.98
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN5C(=CC(=CC5=O)C(F)(F)F)C4

DOS

IR

Vibrations