Geometry & MOs

Info

ID:	406218
PubChem CID:	135076928
Reduced:	ISN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	426.12258
ΔH_f, kcal/mol:	8.6
Dipole, Da:	5.55
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[(R)-(2-bromophenyl)-hydroxymethyl]-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-one

Drug info:

PubChemData

Smile

C=C(CN1C=CC=C1C=O)CN(C2=CC=CC=C2I)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations