Geometry & MOs

Info

ID:

340048

PubChem CID:

127262057

Reduced:

P2N5O15C21H33 (1)

Stoich.:

A2B5C15D21E33 (1)

Weight, g/mol:

422.123609

ΔHf, kcal/mol:

-782.42

Dipole, Da:

12.25

IP(EA), eV:

 -9.35(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(2S)-2-aminopropanoyl]-(pyridine-4-carbonylamino)amino]-1-oxopropan-2-yl]propanamide;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)O)N

DOS

IR

Vibrations