Geometry & MOs

Info

ID:	126091
PubChem CID:	50950968
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-24.57
Dipole, Da:	4.53
IP(EA), eV:	-9.15(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(3-phenylsulfanylpropyl)acetamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CSC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C=N3)C

DOS

IR

Vibrations