Geometry & MOs

Info

ID:

190194

PubChem CID:

77966516

Reduced:

N2O5C41H50 (1)

Stoich.:

A2B5C41D50 (1)

Weight, g/mol:

557.095824

ΔHf, kcal/mol:

-172.24

Dipole, Da:

10.4

IP(EA), eV:

 -8.83(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,5-dimethyl-8-oxo-2,4,5,6-tetrahydro-1H-pyrido[1,2-a][1,5]diazocine-3-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)NC(C4CC=C(C=C4)OCCC5CCCC5)C(=O)O)CC6CCCC6

DOS

IR

Vibrations