Geometry & MOs

Info

ID:	290578
PubChem CID:	109756658
Reduced:	ISN3O3C14H28 (1)
Stoich.:	ABC3D3E14F28 (1)
Weight, g/mol:	340.139154
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	6.65
IP(EA), eV:	-8.79(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCNC(=NC)NC1CC2CCC1O2.I

DOS

IR

Vibrations