Geometry & MOs

Info

ID:

231616

PubChem CID:

87574313

Reduced:

FNSO4H14C18 (1)

Stoich.:

ABCD4E14F18 (1)

Weight, g/mol:

1461.6609

ΔHf, kcal/mol:

-34.29

Dipole, Da:

6.64

IP(EA), eV:

 -9.14(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[[3-[bis(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoyl]-[(2-hydroxyacetyl)amino]amino]-2-hydroxypropyl]-[(2-hydroxyacetyl)amino]carbamoyl]-N,N-bis(2-hydroxyethyl)-2,4,6-triiodobenzamide

Drug info:

PubChemData

Smile

COC1=C(C(C(C=C1)(C(=O)C2=CC=CS2)[N+](=O)[O-])F)C3=CC=CC=C3

DOS

IR

Vibrations