Geometry & MOs

Info

ID:	448956
PubChem CID:	135294726
Reduced:	BrF2O2N6C26H27 (1)
Stoich.:	AB2C2D6E26F27 (1)
Weight, g/mol:	306.10066
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	8.3
IP(EA), eV:	-8.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[3-[2-(propanethioylamino)ethylamino]-3-sulfanylidenepropyl]propanethioamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NCN/C(=C/2\C(=C(C=NC2=O)Br)N=C)/NC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations