Geometry & MOs

Info

ID:	121918
PubChem CID:	50786562
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	485.152161
ΔH_f, kcal/mol:	-29.78
Dipole, Da:	1.34
IP(EA), eV:	-9.27(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=C(C4=C(S3)N=CN(C4=O)CC(=O)NCCC(C)C)C

DOS

IR

Vibrations