Geometry & MOs

Info

ID:

420707

PubChem CID:

135114687

Reduced:

NOC5H7 (4)

Stoich.:

ABC5D7 (4)

Weight, g/mol:

636.273004

ΔHf, kcal/mol:

-95.0

Dipole, Da:

7.11

IP(EA), eV:

 -8.52(-0.66)

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]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC(CNC(=O)C1=C(ON=C1N2CCCC2)C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations