Geometry & MOs

Info

ID:	403660
PubChem CID:	135061220
Reduced:	BrSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	252.151415
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	6.68
IP(EA), eV:	-9.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[(E,2S)-5-phenylpent-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC1(C2[C@H](C=CC2[C@H](O1)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations