Geometry & MOs

Info

ID:

229674

PubChem CID:

87568405

Reduced:

PN5O6C14H22 (2)

Stoich.:

AB5C6D14E22 (2)

Weight, g/mol:

540.193474

ΔHf, kcal/mol:

-545.28

Dipole, Da:

5.3

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl-(1-benzofuran-2-yl)-[(4-fluorophenoxy)methyl]-formylazanium

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C.C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N

DOS

IR

Vibrations