Geometry & MOs

Info

ID:	57418
PubChem CID:	22395869
Reduced:	SF2N2O4C21H24 (1)
Stoich.:	AB2C2D4E21F24 (1)
Weight, g/mol:	621.073941
ΔH_f, kcal/mol:	-229.41
Dipole, Da:	6.49
IP(EA), eV:	-9.43(-1.08)
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-nitrophenoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCN(C(C1)OC(=O)C(CC2=CC=C(C=C2)F)N)S(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations