Geometry & MOs

Info

ID:	436920
PubChem CID:	135212945
Reduced:	SN2O4C30H36 (1)
Stoich.:	AB2C4D30E36 (1)
Weight, g/mol:	478.214409
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	6.95
IP(EA), eV:	-8.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[3-[2-(2-methylpropanoyl)phenoxy]phenyl]-1-(3-phenoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCCCN3C(C2)[C@@H](C3COC)C4=CC=C(C=C4)C5=CC=CC=C5OC

DOS

IR

Vibrations