Geometry & MOs

Info

ID:	145229
PubChem CID:	53482770
Reduced:	FO2N5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	647.217853
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	5.12
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-carbamimidoylphenyl)pyrrolidin-2-yl]methyl 4-(pyrrolidine-1-carboximidoyl)benzoate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)OC2=C(C=C(C=C2)C(=N)N3CCCC3)F)C4=CC=CC(=C4)C(=N)N

DOS

IR

Vibrations