Geometry & MOs

Info

ID:	222863
PubChem CID:	85332795
Reduced:	SF4N4O5H22C25 (1)
Stoich.:	AB4C4D5E22F25 (1)
Weight, g/mol:	452.13184
ΔH_f, kcal/mol:	-298.97
Dipole, Da:	5.06
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamimidoylphenyl)-N-[4-(5-fluoro-2-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1C(C1C(=O)NC2=CC=C(C=C2)C3=C(C=CC(=C3)F)S(=O)(=O)N)C4=CC(=CC=C4)C(=N)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations