Geometry & MOs

Info

ID:	302952
PubChem CID:	124403861
Reduced:	SN3O3C24H33 (1)
Stoich.:	AB3C3D24E33 (1)
Weight, g/mol:	242.03063
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	1.76
IP(EA), eV:	-7.93(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-(4-bromophenyl)pentan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C2=CC=C(C=C2)[C@H](C)NC(=O)CN(C3=CC=CC(=C3)C)S(=O)(=O)C

DOS

IR

Vibrations