Geometry & MOs

Info

ID:	396462
PubChem CID:	135028469
Reduced:	SiO5C18H30 (1)
Stoich.:	AB5C18D30 (1)
Weight, g/mol:	345.1536
ΔH_f, kcal/mol:	-244.64
Dipole, Da:	1.17
IP(EA), eV:	-8.97(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-3-[1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(=C)/C=C/CC1CC1(C(=O)OC)C(=O)OC

DOS

IR

Vibrations