Geometry & MOs

Info

ID:

327570

PubChem CID:

126690384

Reduced:

S2O4N5C19H33 (1)

Stoich.:

A2B4C5D19E33 (1)

Weight, g/mol:

771.362547

ΔHf, kcal/mol:

-150.29

Dipole, Da:

1.59

IP(EA), eV:

 -8.96(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-amino-3-[[2-[[2-[(4-amino-3-ethyl-3,4-dimethylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-[(1-carboxy-2-sulfanylethyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SSCCC(=O)NCCOCCOCCC(=O)NCCNCCN

DOS

IR

Vibrations