Geometry & MOs

Info

ID:	46944
PubChem CID:	10528573
Reduced:	PSF3O4H16C23 (1)
Stoich.:	ABC3D4E16F23 (1)
Weight, g/mol:	476.227099
ΔH_f, kcal/mol:	-249.19
Dipole, Da:	7.76
IP(EA), eV:	-8.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]-4-(2-oxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations