Geometry & MOs

Info

ID:	19164
PubChem CID:	556012
Reduced:	BrSN4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	348.00443
ΔH_f, kcal/mol:	106.45
Dipole, Da:	5.18
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromophenyl)-N-(1-pyridin-2-ylethylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=NNC(=NC1=CC=C(C=C1)Br)S)C2=CC=CC=N2

DOS

IR

Vibrations