Geometry & MOs

Info

ID:	363331
PubChem CID:	127310843
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	17.62
Dipole, Da:	5.78
IP(EA), eV:	-8.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations