Geometry & MOs

Info

ID:	398480
PubChem CID:	135033474
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	5.66
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,8R,10aS)-6-(2-phenylmethoxyethyl)-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocin-8-ol

Drug info:

PubChemData

Smile

CC1([C@H]([C@@H](C1(C)C)[N+](=O)[O-])C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations