Geometry & MOs

Info

ID:	426384
PubChem CID:	135143682
Reduced:	SO2N3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	776.270499
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	7.13
IP(EA), eV:	-8.37(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7'Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6'-methyl-5-phenyl-7'-prop-2-enylidenespiro[acridophosphine-10,5'-indolo[1,2-a]quinoline] 5-oxide

Drug info:

PubChemData

Smile

CCCCC1N(C(=O)C(N1C(=O)NC)(CCSC)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations