Geometry & MOs

Info

ID:	172112
PubChem CID:	75468738
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	439.09028
ΔH_f, kcal/mol:	19.98
Dipole, Da:	4.34
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=NC(=CC=C1)OC)NCC2=C(N=C(S2)C)C

DOS

IR

Vibrations