Geometry & MOs

Info

ID:	191975
PubChem CID:	78208383
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	23.12
Dipole, Da:	6.92
IP(EA), eV:	-9.32(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N(CC1=CC2=CC(=C)C=CC2=NC1=O)C3CC3

DOS

IR

Vibrations