Geometry & MOs

Info

ID:	354920
PubChem CID:	127287680
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	387.128649
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	5.76
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-3-methyl-2-(4-oxo-1-propan-2-ylpyrimidin-2-yl)sulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCCN2C(=O)C(NC2=O)(C)C

DOS

IR

Vibrations