Geometry & MOs

Info

ID:	400800
PubChem CID:	135049142
Reduced:	NCl3O6C20H26 (1)
Stoich.:	AB3C6D20E26 (1)
Weight, g/mol:	302.097666
ΔH_f, kcal/mol:	-247.99
Dipole, Da:	6.9
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-1-phenylpent-4-en-2-ol

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@H](COC([C@@H]1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations