Geometry & MOs

Info

ID:	172963
PubChem CID:	75575871
Reduced:	SO2F3N5H20C25 (1)
Stoich.:	AB2C3D5E20F25 (1)
Weight, g/mol:	387.288577
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	6.33
IP(EA), eV:	-8.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-1-(4-undecylbenzoyl)pyrrolidine-2-carboximidamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)C3=CN(C=N3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations