Geometry & MOs

Info

ID:	57426
PubChem CID:	22395897
Reduced:	SN2F4O5H20C21 (1)
Stoich.:	AB2C4D5E20F21 (1)
Weight, g/mol:	601.084112
ΔH_f, kcal/mol:	-375.43
Dipole, Da:	5.94
IP(EA), eV:	-10.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations