Geometry & MOs

Info

ID:	159980
PubChem CID:	57304275
Reduced:	OSN5C25H27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	419.21303
ΔH_f, kcal/mol:	60.71
Dipole, Da:	3.78
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]methylidene]-4-(methoxymethyl)-1,4-thiazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2)C4=NC=C(C=N4)C5=CC=CC=C5

DOS

IR

Vibrations