Geometry & MOs

Info

ID:	159998
PubChem CID:	57304359
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	297.083036
ΔH_f, kcal/mol:	25.39
Dipole, Da:	1.72
IP(EA), eV:	-8.67(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyano-3-[[(N'-methylcarbamimidoyl)amino]-(1,3-thiazol-4-yl)methyl]sulfanylpropanimidamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CN1)N=O

DOS

IR

Vibrations