Geometry & MOs

Info

ID:

215030

PubChem CID:

85084027

Reduced:

N5O12C30H51 (1)

Stoich.:

A5B12C30D51 (1)

Weight, g/mol:

673.375889

ΔHf, kcal/mol:

-572.92

Dipole, Da:

7.61

IP(EA), eV:

 -9.99(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-[[1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CNC(=O)C1C(O1)C(=O)OCC)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations