Geometry & MOs

Info

ID:	14907
PubChem CID:	423976
Reduced:	ClFSO4N6H20C24 (1)
Stoich.:	ABCD4E6F20G24 (1)
Weight, g/mol:	542.09393
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	11.11
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=C(N=C(N=C2N)N)COC3=CC=CC(=C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

DOS

IR

Vibrations