Geometry & MOs

Info

ID:	121917
PubChem CID:	50786561
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-27.29
Dipole, Da:	3.49
IP(EA), eV:	-9.27(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-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

CCC(C)NC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C3=NC(=NO3)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations