Geometry & MOs

Info

ID:	227363
PubChem CID:	87561501
Reduced:	ClFSN4O4C22H24 (1)
Stoich.:	ABCD4E4F22G24 (1)
Weight, g/mol:	470.408358
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	6.2
IP(EA), eV:	-9.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(tributylazaniumyl)propanedioate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)N2C(=CC(=N2)C(C(C)(C)C)OC(=O)NC)S(=O)(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations