Geometry & MOs

Info

ID:

191329

PubChem CID:

78132319

Reduced:

ON3S3H17C18 (1)

Stoich.:

AB3C3D17E18 (1)

Weight, g/mol:

1002.448068

ΔHf, kcal/mol:

61.02

Dipole, Da:

2.28

IP(EA), eV:

 -8.34(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC(=C2)C3=NC(=CS3)C=C4C(=O)SC(=N)S4

DOS

IR

Vibrations