Geometry & MOs

Info

ID:	68148
PubChem CID:	46507837
Reduced:	FO2S2N5C22H26 (1)
Stoich.:	AB2C2D5E22F26 (1)
Weight, g/mol:	448.135131
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	2.55
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[(7-oxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(S2)N3CCCCC3)N=C1SCC(=O)NC4=C(C=C(C=C4)C)F

DOS

IR

Vibrations