Geometry & MOs

Info

ID:

214606

PubChem CID:

85083269

Reduced:

O11H22C30 (1)

Stoich.:

A11B22C30 (1)

Weight, g/mol:

558.207427

ΔHf, kcal/mol:

-331.57

Dipole, Da:

5.19

IP(EA), eV:

 -8.77(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-[(2-methyltetrazol-5-yl)methyl]amino]-3-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C=CC4=CC(=C(C(=C4)O)O)O)O

DOS

IR

Vibrations