Geometry & MOs

Info

ID:	290716
PubChem CID:	109827158
Reduced:	IO2S2N3C14H26 (1)
Stoich.:	AB2C2D3E14F26 (1)
Weight, g/mol:	574.01102
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	5.33
IP(EA), eV:	-8.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-[[N'-methyl-N-(4-methylsulfonylbutan-2-yl)carbamimidoyl]amino]propyl]benzamide;hydroiodide

Drug info:

PubChemData

Smile

CC(CCS(=O)(=O)C)NC(=NC)NCC(C)C1=CC=CS1.I

DOS

IR

Vibrations