Geometry & MOs

Info

ID:	328937
PubChem CID:	126729358
Reduced:	OS2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	626.239185
ΔH_f, kcal/mol:	77.32
Dipole, Da:	4.65
IP(EA), eV:	-8.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(7,7-dimethyl-[1]benzothiolo[3,2-c]xanthen-10-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenylpyrimidine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(O2)C3=CN4C(=N3)SC(N4)SC

DOS

IR

Vibrations