Geometry & MOs

Info

ID:	394132
PubChem CID:	135022402
Reduced:	Br2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	533.35365
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	0.66
IP(EA), eV:	-9.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,3S)-1-[(4-methoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxyhex-5-en-2-yl]oxy-N,N-dimethylpent-4-enamide

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]1C/C=C\C[C@H]2[C@@H](O1)C[C@@H](O2)C=C=CBr)Br

DOS

IR

Vibrations