Geometry & MOs

Info

ID:	84374
PubChem CID:	49866088
Reduced:	FON4C30H31 (1)
Stoich.:	ABC4D30E31 (1)
Weight, g/mol:	288.02958
ΔH_f, kcal/mol:	-9.57
Dipole, Da:	0.8
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl)methyl carbamimidothioate;hydrobromide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=C(CC(=O)N3)C=C2)CCCCC4=NC5=CC=CC=C5N4C6=CC=C(C=C6)F

DOS

IR

Vibrations