Geometry & MOs

Info

ID:	17209
PubChem CID:	488268
Reduced:	BrS2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	354.98125
ΔH_f, kcal/mol:	74.86
Dipole, Da:	3.44
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(5-bromothiophen-2-yl)ethyl]-N-(6-methylpyridin-2-yl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=NCCC2=CC=C(S2)Br)S

DOS

IR

Vibrations