Geometry & MOs

Info

ID:	34518
PubChem CID:	7978614
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	411.182792
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	6.31
IP(EA), eV:	-9.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations