Geometry & MOs

Info

ID:	121916
PubChem CID:	50786509
Reduced:	OSN6H24C25 (1)
Stoich.:	ABC6D24E25 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	91.53
Dipole, Da:	3.1
IP(EA), eV:	-8.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[5-methyl-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=CC(=CC(=C5)C)C)C3=C2)C

DOS

IR

Vibrations