Geometry & MOs

Info

ID:	328917
PubChem CID:	126729215
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	606.230728
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	4.31
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)phenyl]-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

C1CN(CCN1CCCS(=O)(=O)O)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations