Geometry & MOs

Info

ID:	291367
PubChem CID:	112108393
Reduced:	FSN3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	449.282447
ΔH_f, kcal/mol:	3.27
Dipole, Da:	3.28
IP(EA), eV:	-8.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[N-ethyl-N'-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]carbamimidoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=NCC2=C(C=C(C=C2)F)CSC)N

DOS

IR

Vibrations