Geometry & MOs

Info

ID:

176198

PubChem CID:

76007848

Reduced:

NSO4C19H23 (1)

Stoich.:

ABC4D19E23 (1)

Weight, g/mol:

956.461216

ΔHf, kcal/mol:

-136.4

Dipole, Da:

5.62

IP(EA), eV:

 -9.27(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[6-[(2-amino-3-sulfanylpropanoyl)amino]hexanoylamino]pentanediamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)OC)[S+](=O)(C)[O-]

DOS

IR

Vibrations