Geometry & MOs

Info

ID:

220080

PubChem CID:

85165219

Reduced:

N2O15C28H42 (1)

Stoich.:

A2B15C28D42 (1)

Weight, g/mol:

646.292219

ΔHf, kcal/mol:

-702.66

Dipole, Da:

5.88

IP(EA), eV:

 -9.7(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OC)COC(=O)C)NC2CC(C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C

DOS

IR

Vibrations