Geometry & MOs

Info

ID:	194318
PubChem CID:	78514691
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	3.44
IP(EA), eV:	-8.98(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations