Geometry & MOs

Info

ID:	178844
PubChem CID:	76388513
Reduced:	O11C27H40 (1)
Stoich.:	A11B27C40 (1)
Weight, g/mol:	468.101624
ΔH_f, kcal/mol:	-492.97
Dipole, Da:	5.21
IP(EA), eV:	-10.16(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-diacetyloxy-5-[(6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)carbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)C1C2C(C3CC(C(CCC(C2O3)(C)OC(=O)C)OC=O)(C)O)C4(CO4)C(C1OC(=O)C)OC(=O)C

DOS

IR

Vibrations