Geometry & MOs

Info

ID:

191659

PubChem CID:

78173967

Reduced:

P3N7O13C20H30 (1)

Stoich.:

A3B7C13D20E30 (1)

Weight, g/mol:

1069.334361

ΔHf, kcal/mol:

-670.93

Dipole, Da:

3.75

IP(EA), eV:

 -8.34(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sulfo 3-[[2-[[2-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CN(CCO)C1=CC=C(C=C1)CNP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O

DOS

IR

Vibrations