Geometry & MOs

Info

ID:	313404
PubChem CID:	126614451
Reduced:	ClNOSH14C20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	534.241962
ΔH_f, kcal/mol:	42.42
Dipole, Da:	3.66
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(C=CC=C3S2)C4=C(C=C(C=C4)Cl)C=O

DOS

IR

Vibrations