Geometry & MOs

Info

ID:

127859

PubChem CID:

51019655

Reduced:

N2O2H16C19 (1)

Stoich.:

A2B2C16D19 (1)

Weight, g/mol:

555.20055

ΔHf, kcal/mol:

-3.8

Dipole, Da:

5.26

IP(EA), eV:

 -9.04(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (15R,16R,18S)-16-hydroxy-10,23-bis(methoxymethyl)-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaene-16-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5

DOS

IR

Vibrations