Geometry & MOs

Info

ID:	290719
PubChem CID:	109834405
Reduced:	ISO2N4C22H35 (1)
Stoich.:	ABC2D4E22F35 (1)
Weight, g/mol:	573.16344
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	2.08
IP(EA), eV:	-7.96(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[[N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]methyl]-N-methylcarbamate;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCCC1=CC(=C(C=C1)OC)OCC)NCCC2=NC(=C(S2)C)C.I

DOS

IR

Vibrations