Geometry & MOs

Info

ID:	151669
PubChem CID:	56261053
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	2.91
IP(EA), eV:	-8.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCC1=CC=C(C=C1)OCC#C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations