Geometry & MOs

Info

ID:	380256
PubChem CID:	134970641
Reduced:	NSO10C21H23 (1)
Stoich.:	ABC10D21E23 (1)
Weight, g/mol:	288.091707
ΔH_f, kcal/mol:	-388.8
Dipole, Da:	4.72
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[hydroxy(phenyl)methyl]-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@H](O1)OC2=CC=C(C=C2)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations