Geometry & MOs

Info

ID:	308331
PubChem CID:	125326191
Reduced:	ClFSN3O3H17C20 (1)
Stoich.:	ABCD3E3F17G20 (1)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	5.5
IP(EA), eV:	-8.88(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CC2=NC(=NC(=O)C2)SCC3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations