Geometry & MOs

Info

ID:	445268
PubChem CID:	135265662
Reduced:	ClSN5O5C27H38 (1)
Stoich.:	ABC5D5E27F38 (1)
Weight, g/mol:	288.96846
ΔH_f, kcal/mol:	-110.39
Dipole, Da:	6.97
IP(EA), eV:	-7.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (NZ)-N-[amino-(4-bromo-2-fluorophenyl)methylidene]carbamimidothioate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CC(=C(N=C2)C3=NN(C(=N3)OC(C)C)COCCS(C)(C)C)Cl)OCC(C)(C)C(=O)O

DOS

IR

Vibrations