Geometry & MOs

Info

ID:	20769
PubChem CID:	585610
Reduced:	SN4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	264.140868
ΔH_f, kcal/mol:	48.23
Dipole, Da:	5.78
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methylpropyl)-N-[1-(6-methylpyridin-3-yl)ethylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=NNC(=NCC(C)C)S)C

DOS

IR

Vibrations