Geometry & MOs

Info

ID:	56536
PubChem CID:	17436160
Reduced:	SO3N4H20C24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	20.1
Dipole, Da:	2.56
IP(EA), eV:	-8.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations