Geometry & MOs

Info

ID:

215364

PubChem CID:

85084614

Reduced:

N2O5C23H37 (2)

Stoich.:

A2B5C23D37 (2)

Weight, g/mol:

845.435529

ΔHf, kcal/mol:

-431.1

Dipole, Da:

2.97

IP(EA), eV:

 -8.88(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[1-(1-carboxyethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1C2(C(C(C(=NOC3CCCNC3)C(C(C(C(C(C(=O)C(C(=O)O1)C)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)CCCCC5=CC=CC=C5)C)C)NC(=O)O2)C

DOS

IR

Vibrations