Geometry & MOs

Info

ID:	14909
PubChem CID:	423978
Reduced:	FSCl2O4N6H19C24 (1)
Stoich.:	ABC2D4E6F19G24 (1)
Weight, g/mol:	576.054958
ΔH_f, kcal/mol:	-111.82
Dipole, Da:	8.32
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations