Geometry & MOs

Info

ID:	176275
PubChem CID:	76023310
Reduced:	BrFNOH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	571.254317
ΔH_f, kcal/mol:	-41.59
Dipole, Da:	3.22
IP(EA), eV:	-9.47(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[[4-[N'-(acetyloxymethyl)carbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C(=O)NC2=CBr

DOS

IR

Vibrations