Geometry & MOs

Info

ID:

151171

PubChem CID:

53790871

Reduced:

OC15H24 (4)

Stoich.:

AB15C24 (4)

Weight, g/mol:

414.305344

ΔHf, kcal/mol:

-325.16

Dipole, Da:

2.02

IP(EA), eV:

 -9.55(0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]-(diaminomethylideneamino)-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-ethylazanium

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)COC(=O)[C@]67CC[C@H]([C@@H]6[C@H]8CC[C@@H]9[C@]1(CC[C@@H](C([C@@H]1CC[C@]9([C@@]8(CC7)C)C)(C)C)O)C)C(=C)C

DOS

IR

Vibrations