Geometry & MOs

Info

ID:

127399

PubChem CID:

51000789

Reduced:

O2S2N3H23C24 (1)

Stoich.:

A2B2C3D23E24 (1)

Weight, g/mol:

692.219923

ΔHf, kcal/mol:

-11.76

Dipole, Da:

3.1

IP(EA), eV:

 -8.61(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[3-[[5-[3-[[(6-aminopyridin-3-yl)methylamino]methyl]phenyl]-2,3-dihydro-1-benzofuran-7-yl]sulfonylamino]thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CSC1=NC=CC(=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)[C@H]5CCSC[C@@H]5O

DOS

IR

Vibrations