Geometry & MOs

Info

ID:

423663

PubChem CID:

135119958

Reduced:

SN2O4C20H26 (1)

Stoich.:

AB2C4D20E26 (1)

Weight, g/mol:

580.300933

ΔHf, kcal/mol:

-123.75

Dipole, Da:

6.54

IP(EA), eV:

 -9.3(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(10S,18S)-8-methyl-10-(2-methylpropyl)-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetrazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations