Geometry & MOs

Info

ID:	57413
PubChem CID:	22395857
Reduced:	SF3N3O5C22H24 (1)
Stoich.:	AB3C3D5E22F24 (1)
Weight, g/mol:	572.115078
ΔH_f, kcal/mol:	-336.37
Dipole, Da:	11.5
IP(EA), eV:	-8.65(-1.41)
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-ethoxyethoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=C(C=C3)N)C(=O)O

DOS

IR

Vibrations