Geometry & MOs

Info

ID:	291330
PubChem CID:	111978652
Reduced:	O3N5C23H37 (1)
Stoich.:	A3B5C23D37 (1)
Weight, g/mol:	530.01896
ΔH_f, kcal/mol:	-133.26
Dipole, Da:	6.93
IP(EA), eV:	-9.06(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[N-[(4-bromo-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=NC)NCC(=O)N1CCC(CC1)CC2=CC=CC=C2

DOS

IR

Vibrations