Geometry & MOs

Info

ID:	82258
PubChem CID:	49855816
Reduced:	N2O6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	382.210387
ΔH_f, kcal/mol:	-215.43
Dipole, Da:	7.78
IP(EA), eV:	-9.19(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-5-[5-[(1S)-1-hydroxy-2-(5-nitro-1H-pyrrol-3-yl)ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C/C(=C\CCC(C)([C@H](CC1=CNC(=C1)[N+](=O)[O-])O)O)/CC[C@H](C(C)(C)O)O

DOS

IR

Vibrations