Geometry & MOs

Info

ID:	233013
PubChem CID:	87577981
Reduced:	FS2N6O7C27H31 (1)
Stoich.:	AB2C6D7E27F31 (1)
Weight, g/mol:	470.206822
ΔH_f, kcal/mol:	-214.79
Dipole, Da:	6.6
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,6-tetrabenzylbenzenethiol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(C(C)C1=CC=C(C=C1)OCCF)C(=O)O)N2C=C(N=N2)COC3=CC4=C(C=C3)N=C(S4)S(=O)(=O)N

DOS

IR

Vibrations