Geometry & MOs

Info

ID:

316072

PubChem CID:

126629930

Reduced:

N4O5C20H36 (1)

Stoich.:

A4B5C20D36 (1)

Weight, g/mol:

490.255813

ΔHf, kcal/mol:

-254.07

Dipole, Da:

1.39

IP(EA), eV:

 -8.62(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-chloro-2-methylpropyl) (3S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C(/C1CCCN(N1)C(=O)[C@H](C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C)\O

DOS

IR

Vibrations