Geometry & MOs

Info

ID:

193145

PubChem CID:

78349910

Reduced:

S2O3N5C19H29 (1)

Stoich.:

A2B3C5D19E29 (1)

Weight, g/mol:

1010.375985

ΔHf, kcal/mol:

-60.17

Dipole, Da:

4.67

IP(EA), eV:

 -9.04(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[4-carboxy-1-[[3-carboxy-1-[[1-[[1-[[1-[[1-(1,2-dicarboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]azanium

Drug info:

PubChemData

Smile

C1CC(SC1CN2CNNN2)C(C(=O)O)NC(=O)C(CCC3=CC=CC=C3)CS

DOS

IR

Vibrations