Geometry & MOs

Info

ID:

392061

PubChem CID:

135012513

Reduced:

NPC20H26 (2)

Stoich.:

ABC20D26 (2)

Weight, g/mol:

409.221286

ΔHf, kcal/mol:

253.72

Dipole, Da:

16.66

IP(EA), eV:

 -5.34(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-amino-3-[3-(aminomethyl)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2[C@H](C3=C([P+]2(C)[CH])C[C@H]4C[C@@H]3C4(C)C)[C@H]5C6=C(C[C@H]7C[C@@H]6C7(C)C)[P+](N5[C@H](C)C8=CC=CC=C8)(C)[CH]

DOS

IR

Vibrations