Geometry & MOs

Info

ID:

219957

PubChem CID:

85165085

Reduced:

O2N3C18H21 (2)

Stoich.:

A2B3C18D21 (2)

Weight, g/mol:

622.158963

ΔHf, kcal/mol:

-111.3

Dipole, Da:

2.69

IP(EA), eV:

 -8.97(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]thieno[3,2-b]thiophene-5-carbonyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4CN

DOS

IR

Vibrations