Geometry & MOs

Info

ID:	426126
PubChem CID:	135140827
Reduced:	F2O4N5C33H43 (1)
Stoich.:	A2B4C5D33E43 (1)
Weight, g/mol:	452.07758
ΔH_f, kcal/mol:	-239.15
Dipole, Da:	3.97
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-2-(4-bromophenyl)-1,2-diphenylethenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)NCCNC(=O)[C@H](CCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)N

DOS

IR

Vibrations