Geometry & MOs

Info

ID:	31203
PubChem CID:	855164
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	4.09
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(6-ethyl-5-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)C)C

DOS

IR

Vibrations