Geometry & MOs

Info

ID:	307192
PubChem CID:	125275699
Reduced:	ClSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	367.07574
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	5.57
IP(EA), eV:	-9.04(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=O)[C@@H](C(=N2)C)CCO

DOS

IR

Vibrations