Geometry & MOs

Info

ID:

172969

PubChem CID:

75575937

Reduced:

N3O7C16H19 (1)

Stoich.:

A3B7C16D19 (1)

Weight, g/mol:

581.193768

ΔHf, kcal/mol:

-165.03

Dipole, Da:

5.77

IP(EA), eV:

 -10.27(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[4-amino-2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(=CC1CC(C2C(C1)OC(=O)C(=O)O2)[N+](=O)[O-])C#N

DOS

IR

Vibrations