Geometry & MOs

Info

ID:	325794
PubChem CID:	126684999
Reduced:	NSO4H27C32 (1)
Stoich.:	ABC4D27E32 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-56.47
Dipole, Da:	2.66
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(5-methyloxan-2-yl)-1,3-diazinane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@@H](C(=O)SC2=CC=CC=C2C=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations