Geometry & MOs

Info

ID:	56438
PubChem CID:	17425456
Reduced:	SO2N5C19H33 (1)
Stoich.:	AB2C5D19E33 (1)
Weight, g/mol:	385.066319
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	2.73
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1SCC(=O)NC2CCCCCC2)N3CCOCC3

DOS

IR

Vibrations