Geometry & MOs

Info

ID:	444621
PubChem CID:	135263035
Reduced:	SO4N5C28H35 (1)
Stoich.:	AB4C5D28E35 (1)
Weight, g/mol:	341.104542
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	6.56
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCCCC2)C(C3=CC=C(O3)C)NC(=O)CC4=CN=C(N=C4)N5CCS(=O)(=O)CC5

DOS

IR

Vibrations