Geometry & MOs

Info

ID:	444798
PubChem CID:	135263580
Reduced:	SN4O5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-125.64
Dipole, Da:	6.21
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-(4-hydroxyphenyl)-2-phenylethyl]phenol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CCCN3C(=O)[C@H](C4=CC(=O)NO4)C(C)CO

DOS

IR

Vibrations