Geometry & MOs

Info

ID:	243488
PubChem CID:	99224335
Reduced:	S2N3O5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	493.170513
ΔH_f, kcal/mol:	-177.47
Dipole, Da:	5.51
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(4-propylphenyl)ethyl]-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations