Geometry & MOs

Info

ID:	307863
PubChem CID:	125310072
Reduced:	ClFO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	325.02879
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	3.24
IP(EA), eV:	-9.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=N[C@H]1C)NC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations