Geometry & MOs

Info

ID:

214850

PubChem CID:

85083742

Reduced:

Cl2N4O4C33H36 (1)

Stoich.:

A2B4C4D33E36 (1)

Weight, g/mol:

623.200961

ΔHf, kcal/mol:

-38.19

Dipole, Da:

7.86

IP(EA), eV:

 -9.11(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCN1CC(C(C(C1COC2=NC(=NC(=N2)Cl)Cl)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations