Geometry & MOs

Info

ID:

173183

PubChem CID:

75608000

Reduced:

NOC6H8 (4)

Stoich.:

ABC6D8 (4)

Weight, g/mol:

953.313802

ΔHf, kcal/mol:

-146.6

Dipole, Da:

4.38

IP(EA), eV:

 -8.66(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[bis[2-[6-(2,4-dinitroanilino)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2C(C(=NNC3=CC=CC=C3)C(=O)N2C4CCCCC4)C(=O)O

DOS

IR

Vibrations