Geometry & MOs

Info

ID:	159634
PubChem CID:	57288562
Reduced:	NSF3O4C12H14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	608.560442
ΔH_f, kcal/mol:	-313.26
Dipole, Da:	4.87
IP(EA), eV:	-10.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl 2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxoicosanoate

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)C(F)(F)F)C(=O)OC)NS(=O)(=O)C

DOS

IR

Vibrations