Geometry & MOs

Info

ID:	121919
PubChem CID:	50786563
Reduced:	SO3N5H23C26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	493.102017
ΔH_f, kcal/mol:	13.35
Dipole, Da:	4.36
IP(EA), eV:	-9.29(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)C3=C(C4=C(S3)N=CN(C4=O)CC(=O)NCCC5=CC=CC=C5)C

DOS

IR

Vibrations