Geometry & MOs

Info

ID:	304989
PubChem CID:	124766402
Reduced:	S2N3O6C25H33 (1)
Stoich.:	A2B3C6D25E33 (1)
Weight, g/mol:	535.181078
ΔH_f, kcal/mol:	-215.28
Dipole, Da:	6.26
IP(EA), eV:	-8.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-phenylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C[C@H]3CCCO3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations