Geometry & MOs

Info

ID:	57412
PubChem CID:	22395856
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	499.138877
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	8.5
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC4=C3C4)C(=O)O

DOS

IR

Vibrations