Geometry & MOs

Info

ID:	17785
PubChem CID:	519242
Reduced:	NSC30H45 (1)
Stoich.:	ABC30D45 (1)
Weight, g/mol:	451.327272
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	2.89
IP(EA), eV:	-7.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-octadecylphenothiazine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC3=CC=CC=C31

DOS

IR

Vibrations