Geometry & MOs

Info

ID:	176636
PubChem CID:	76076113
Reduced:	BrNSO3C16H24 (1)
Stoich.:	ABCD3E16F24 (1)
Weight, g/mol:	401.199094
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	5.14
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-hydroxy-3-(4-methylphenyl)propyl]-4-(4-hydroxyphenyl)-1-(2-methylphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C(C(=O)OC)NCC1=CC=C(C=C1)Br)SCCCO

DOS

IR

Vibrations