Geometry & MOs

Info

ID:	16870
PubChem CID:	478056
Reduced:	BrOSN4C10H11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	313.98369
ΔH_f, kcal/mol:	17.62
Dipole, Da:	3.32
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-acetamido-3-bromophenyl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)C=NN=C(N)S)Br

DOS

IR

Vibrations