Geometry & MOs

Info

ID:	290685
PubChem CID:	109817088
Reduced:	ION4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	513.10593
ΔH_f, kcal/mol:	5.22
Dipole, Da:	4.43
IP(EA), eV:	-9.02(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NC2CC2C3=CC=CC=C3.I

DOS

IR

Vibrations