Geometry & MOs

Info

ID:	177253
PubChem CID:	76154618
Reduced:	SN4O4C20H26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	454.158723
ΔH_f, kcal/mol:	-91.84
Dipole, Da:	6.34
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[6-amino-5-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)C(CC2CCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CC4

DOS

IR

Vibrations