Geometry & MOs

Info

ID:	160326
PubChem CID:	57309673
Reduced:	N5O7C39H47 (1)
Stoich.:	A5B7C39D47 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-267.2
Dipole, Da:	7.06
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CN3C(=O)N(C(=O)C34CCCCC4)[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations