Geometry & MOs

Info

ID:	398724
PubChem CID:	135035085
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	551.88917
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	2.49
IP(EA), eV:	-8.88(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(benzenesulfonyl)-1-(4-bromophenyl)-3-iodo-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2C[C@@H]2CC3=CC=CC=C3

DOS

IR

Vibrations