Geometry & MOs

Info

ID:	382245
PubChem CID:	134973264
Reduced:	BrNSO3C17H24 (1)
Stoich.:	ABCD3E17F24 (1)
Weight, g/mol:	356.180771
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	2.89
IP(EA), eV:	-9.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal

Drug info:

PubChemData

Smile

C=CCN(CC=C)S(=O)(=O)CC1(C2CCC1(C3CC2C=C3)Br)O

DOS

IR

Vibrations