Geometry & MOs

Info

ID:	36570
PubChem CID:	8008984
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	3.84
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=CS1)C(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations