Geometry & MOs

Info

ID:

190067

PubChem CID:

77950077

Reduced:

F2O2N5C25H29 (1)

Stoich.:

A2B2C5D25E29 (1)

Weight, g/mol:

517.148733

ΔHf, kcal/mol:

-104.26

Dipole, Da:

7.8

IP(EA), eV:

 -8.8(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[[2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-N,N-diethyl-4-hydroxy-2,3-dihydrothiophene-5-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)C1CC(CN1CCCF)C2(C(=O)N(C(=N2)N)C)C3=CC=CC(=C3)C4=C(N=CC=C4)F

DOS

IR

Vibrations