Geometry & MOs

Info

ID:	290609
PubChem CID:	109766776
Reduced:	IOCl2N4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	539.03518
ΔH_f, kcal/mol:	-6.07
Dipole, Da:	5.99
IP(EA), eV:	-8.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC(=CC=C1)O)NCC2=CC(=C(N2C)Cl)Cl.I

DOS

IR

Vibrations