Geometry & MOs

Info

ID:

226737

PubChem CID:

87557963

Reduced:

SN6O9C39H40 (1)

Stoich.:

AB6C9D39E40 (1)

Weight, g/mol:

566.158368

ΔHf, kcal/mol:

-228.12

Dipole, Da:

9.53

IP(EA), eV:

 -8.84(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]anilino]-(1-oxopropan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C(=O)N(N1CC(C)OC(=O)CNC)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC

DOS

IR

Vibrations