Geometry & MOs

Info

ID:	396946
PubChem CID:	135029496
Reduced:	OSiC24H42 (1)
Stoich.:	ABC24D42 (1)
Weight, g/mol:	450.103814
ΔH_f, kcal/mol:	-121.01
Dipole, Da:	1.71
IP(EA), eV:	-8.72(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]-3-hydroxyxanthen-9-one

Drug info:

PubChemData

Smile

CCCC/C=C\C(CCC1=CC=CC=C1)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations