Geometry & MOs

Info

ID:	38396
PubChem CID:	8034691
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	416.134068
ΔH_f, kcal/mol:	86.54
Dipole, Da:	10.63
IP(EA), eV:	-9.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-5-methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)CCC3=CC=CC=C3)C

DOS

IR

Vibrations