Geometry & MOs

Info

ID:	57460
PubChem CID:	22395980
Reduced:	FISN2O6C20H20 (1)
Stoich.:	ABCD2E6F20G20 (1)
Weight, g/mol:	506.188686
ΔH_f, kcal/mol:	-245.19
Dipole, Da:	2.97
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)F)C(=O)NC(CC3=CC(=C(C=C3)O)I)C(=O)O

DOS

IR

Vibrations