Geometry & MOs

Info

ID:	392738
PubChem CID:	135017822
Reduced:	BN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	417.163496
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079541
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2R,3S,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoate

Drug info:

PubChemData

Smile

[B-]12(N(CCO1)CCO2)C3=CC4=CC=CC=C4N3C(=O)OC(C)(C)C

DOS

IR

Vibrations