Geometry & MOs

Info

ID:	308450
PubChem CID:	125333133
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	1.51
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 3-[(5S)-4-methyl-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC[C@@H]1N=C(NO1)C2=CC3=C(CC=N3)C=C2

DOS

IR

Vibrations