Geometry & MOs

Info

ID:	185618
PubChem CID:	77321106
Reduced:	ClNSO2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	501.193357
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	2.83
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)C2=CSC=C2)N.Cl

DOS

IR

Vibrations