Geometry & MOs

Info

ID:	57446
PubChem CID:	22395940
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	525.052812
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.45
IP(EA), eV:	-9.17(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)phenyl]-2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(NCC2=CC=CC=C21)C(=O)OC(=O)C(CC3=CC=CS3)N

DOS

IR

Vibrations