Geometry & MOs

Info

ID:

328434

PubChem CID:

126723062

Reduced:

NO2C14H25 (1)

Stoich.:

AB2C14D25 (1)

Weight, g/mol:

1490.775079

ΔHf, kcal/mol:

-89.14

Dipole, Da:

2.64

IP(EA), eV:

-8.98(0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(8R,12S,15R,18S,26Z,33R,34R,37S)-26-diazenyl-11,32-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-18-methoxycarbonyl-28-methyl-15,34-bis(naphthalen-2-ylmethyl)-13,16,35-trioxo-2,24-dioxa-5,6,7,11,17,28,32,36-octazahexacyclo[37.2.2.220,23.14,7.08,12.029,33]hexatetraconta-1(42),4(46),5,20,22,26,39(43),40,44-nonaene-37-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C1O[C@H]2CCN([C@@H]2C(=O)C(C)C)C)C

DOS

IR

Vibrations