Geometry & MOs

Info

ID:	355244
PubChem CID:	127288176
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	354.078662
ΔH_f, kcal/mol:	-114.22
Dipole, Da:	4.74
IP(EA), eV:	-9.06(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-1,3-oxazol-4-yl)-3-oxo-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C)C(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations