Geometry & MOs

Info

ID:	82257
PubChem CID:	49855815
Reduced:	NO3C10H17 (2)
Stoich.:	AB3C10D17 (2)
Weight, g/mol:	384.226037
ΔH_f, kcal/mol:	-211.63
Dipole, Da:	5.63
IP(EA), eV:	-9.4(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,10R)-3,7,11-trimethyl-1-(5-nitro-1H-pyrrol-3-yl)dodec-6-ene-2,3,10,11-tetrol

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)OC)O

DOS

IR

Vibrations