Geometry & MOs

Info

ID:	57470
PubChem CID:	22396004
Reduced:	SF2N2O5H24C26 (1)
Stoich.:	AB2C2D5E24F26 (1)
Weight, g/mol:	443.115107
ΔH_f, kcal/mol:	-236.34
Dipole, Da:	8.1
IP(EA), eV:	-9.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-cyanophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F)C(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations