Geometry & MOs

Info

ID:	432108
PubChem CID:	135172240
Reduced:	SO2F3N4C27H33 (1)
Stoich.:	AB2C3D4E27F33 (1)
Weight, g/mol:	392.253589
ΔH_f, kcal/mol:	-168.95
Dipole, Da:	3.06
IP(EA), eV:	-8.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diamino-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]butanimidamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NCS/N=C(/C(F)(F)F)\N=C

DOS

IR

Vibrations