Geometry & MOs

Info

ID:	222862
PubChem CID:	85332794
Reduced:	ClNSO7C28H36 (1)
Stoich.:	ABCD7E28F36 (1)
Weight, g/mol:	566.124704
ΔH_f, kcal/mol:	-261.65
Dipole, Da:	5.15
IP(EA), eV:	-9.06(-0.64)
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;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1COCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)Cl

DOS

IR

Vibrations