Geometry & MOs

Info

ID:	431369
PubChem CID:	135171444
Reduced:	ClO4N5H30C33 (1)
Stoich.:	AB4C5D30E33 (1)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	3.55
IP(EA), eV:	-8.69(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-ethyl-5-(2-methylprop-2-enyl)oxolane-2,5-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)CN3CCCCC3C=O)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)C=O)Cl

DOS

IR

Vibrations