Geometry & MOs

Info

ID:	57475
PubChem CID:	22396014
Reduced:	SCl2N3O7C25H27 (1)
Stoich.:	AB2C3D7E25F27 (1)
Weight, g/mol:	428.198108
ΔH_f, kcal/mol:	-268.94
Dipole, Da:	7.78
IP(EA), eV:	-9.08(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidin-2-yl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations