Geometry & MOs

Info

ID:	397250
PubChem CID:	135029955
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	258.165121
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	3.4
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanal

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)CC(CCC2=CC(=C(C=C2)O)O)O)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations