Geometry & MOs

Info

ID:

169262

PubChem CID:

75081193

Reduced:

SN3O3C22H31 (1)

Stoich.:

AB3C3D22E31 (1)

Weight, g/mol:

905.370152

ΔHf, kcal/mol:

-91.64

Dipole, Da:

7.35

IP(EA), eV:

 -8.57(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[1-[[4-amino-1-[(1-carboxy-2-sulfanylethyl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[(2-amino-3-hydroxypropanoyl)amino]acetyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CCC(CC2)C(C)CCOC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations