Geometry & MOs

Info

ID:	122923
PubChem CID:	50826732
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	19.27
Dipole, Da:	4.17
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methanesulfonamido)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=CC(=CC=C1)NC2=NC=C(C=N2)C3=CC=CC(=C3)C

DOS

IR

Vibrations