Geometry & MOs

Info

ID:	59567
PubChem CID:	24875313
Reduced:	SO2F3N10H17C18 (1)
Stoich.:	AB2C3D10E17F18 (1)
Weight, g/mol:	144.126263
ΔH_f, kcal/mol:	-93.43
Dipole, Da:	6.45
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-(methylamino)hexanal

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C(F)(F)F)NC(=O)NC2=NC=C(S2)CCNC3=CC(=NC=N3)NC4=NC=NN4

DOS

IR

Vibrations