Geometry & MOs

Info

ID:

218942

PubChem CID:

85090210

Reduced:

NO2C16H28 (2)

Stoich.:

AB2C16D28 (2)

Weight, g/mol:

533.24454

ΔHf, kcal/mol:

-247.38

Dipole, Da:

6.37

IP(EA), eV:

 -8.7(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=C(C=C1)C(C)(C)C)OCC(=O)C(C)(C)C)C(C)C)N)O

DOS

IR

Vibrations