Geometry & MOs

Info

ID:	307814
PubChem CID:	125309532
Reduced:	ClFOSN4C14H14 (1)
Stoich.:	ABCDE4F14G14 (1)
Weight, g/mol:	505.097742
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	8.46
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-[[(5S)-5-(4-ethoxyphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N2C(=NC1=O)NN=C2SCC3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations