Geometry & MOs

Info

ID:

223883

PubChem CID:

85335698

Reduced:

SN6O6C32H42 (1)

Stoich.:

AB6C6D32E42 (1)

Weight, g/mol:

639.184621

ΔHf, kcal/mol:

-162.24

Dipole, Da:

6.89

IP(EA), eV:

 -8.51(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[N-[[2-(3-fluoroanilino)-6-[2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]pyrimidin-4-yl]amino]-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=C2CCNN2)C(=O)C=C1OCCCCC(C)(C)CNC(=O)C3=NC=C(C=C3)NNCC4=CC=CC=C4S(=O)(=O)O

DOS

IR

Vibrations