Geometry & MOs

Info

ID:	14911
PubChem CID:	423980
Reduced:	ClFSO3N5H21C25 (1)
Stoich.:	ABCD3E5F21G25 (1)
Weight, g/mol:	525.103767
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	7.38
IP(EA), eV:	-8.93(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations