Geometry & MOs

Info

ID:	57399
PubChem CID:	22395830
Reduced:	FSCl2N2O5C21H21 (1)
Stoich.:	ABC2D2E5F21G21 (1)
Weight, g/mol:	613.191643
ΔH_f, kcal/mol:	-238.77
Dipole, Da:	7.05
IP(EA), eV:	-9.45(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCN(C1C(=O)NC(CC2=CC=C(C=C2)F)C(=O)O)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations