Geometry & MOs

Info

ID:

326936

PubChem CID:

126688728

Reduced:

N3O4C28H35 (2)

Stoich.:

A3B4C28D35 (2)

Weight, g/mol:

300.066759

ΔHf, kcal/mol:

-199.28

Dipole, Da:

1.77

IP(EA), eV:

 -8.04(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2-hydroxy-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1=O)OC(=O)CCCNC(=O)N2C=NC=C2)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C(=O)C(CC3(C)C)OC(=O)CCCNC(=O)N4C=NC=C4)C)\C)\C)/C)/C

DOS

IR

Vibrations