Geometry & MOs

Info

ID:	408317
PubChem CID:	135081083
Reduced:	BrO2S2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	261.121237
ΔH_f, kcal/mol:	-63.41
Dipole, Da:	2.23
IP(EA), eV:	-8.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,5S)-2,4-dihydroxy-6-(hydroxymethyl)-5-prop-2-enoxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)C(=C(S2)C)Br)C

DOS

IR

Vibrations