Geometry & MOs

Info

ID:	65085
PubChem CID:	29204446
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-191.8
Dipole, Da:	7.71
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-acetamido-3-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations