Geometry & MOs

Info

ID:	57496
PubChem CID:	22396069
Reduced:	SN2F3O5C23H25 (1)
Stoich.:	AB2C3D5E23F25 (1)
Weight, g/mol:	556.120163
ΔH_f, kcal/mol:	-333.92
Dipole, Da:	7.23
IP(EA), eV:	-9.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations