Geometry & MOs

Info

ID:

193427

PubChem CID:

78393813

Reduced:

SN2O2H14C16 (1)

Stoich.:

AB2C2D14E16 (1)

Weight, g/mol:

833.413062

ΔHf, kcal/mol:

11.97

Dipole, Da:

6.13

IP(EA), eV:

 -8.91(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[5-amino-1-[(1-carboxy-2-hydroxyethyl)amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(C(=N1)C2=CC=CC=C2)C(=C3C=CC(=O)C=C3O)S

DOS

IR

Vibrations