Geometry & MOs

Info

ID:	57433
PubChem CID:	22395917
Reduced:	SN2O5C22H34 (1)
Stoich.:	AB2C5D22E34 (1)
Weight, g/mol:	498.162471
ΔH_f, kcal/mol:	-221.58
Dipole, Da:	2.23
IP(EA), eV:	-9.43(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2S(=O)O

DOS

IR

Vibrations