Geometry & MOs

Info

ID:	321229
PubChem CID:	126665398
Reduced:	O2S2F3N5C14H14 (1)
Stoich.:	A2B2C3D5E14F14 (1)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-150.29
Dipole, Da:	5.27
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dibenzylbenzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CO)C2=CSC(=N2)NC(CN3C=C(C=N3)C(F)(F)F)O

DOS

IR

Vibrations