Geometry & MOs

Info

ID:

189103

PubChem CID:

77818907

Reduced:

ClFS2N6O9H34C35 (1)

Stoich.:

ABC2D6E9F34G35 (1)

Weight, g/mol:

403.179044

ΔHf, kcal/mol:

-265.46

Dipole, Da:

14.97

IP(EA), eV:

 -8.69(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[4-[2-[1-aminoethenyl(benzyl)hydrazinylidene]ethyl]pyrimidin-2-yl]amino]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1(C2N(C1=O)C(=C(CS2)CSC=NNC3CCN(C3)C4=C(C=C5C(=C4Cl)N(C=C(C5=O)C(=O)O)C6CC6)F)C(=O)O)NC(=O)C(C7=CC=CC=C7)O

DOS

IR

Vibrations