Geometry & MOs

Info

ID:	57463
PubChem CID:	22395986
Reduced:	SN3O5C28H33 (1)
Stoich.:	AB3C5D28E33 (1)
Weight, g/mol:	401.156241
ΔH_f, kcal/mol:	-163.79
Dipole, Da:	3.02
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenyl)-2-[[2-methyl-3-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

DOS

IR

Vibrations