Geometry & MOs

Info

ID:

214697

PubChem CID:

85083427

Reduced:

SCl2N2O4C29H36 (1)

Stoich.:

AB2C2D4E29F36 (1)

Weight, g/mol:

579.268647

ΔHf, kcal/mol:

-159.18

Dipole, Da:

4.4

IP(EA), eV:

 -9.03(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-3-carboxypropanoyl)amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC12CC3(CCOCC3)C(O2)C(=O)O)CC4CN(CC4C5=CSC=C5)CC6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations