Geometry & MOs

Info

ID:	43999
PubChem CID:	10322832
Reduced:	SN2O5C26H26 (1)
Stoich.:	AB2C5D26E26 (1)
Weight, g/mol:	478.236876
ΔH_f, kcal/mol:	-150.04
Dipole, Da:	4.43
IP(EA), eV:	-8.68(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanophenyl)-N-[3-(4-cyano-1-propan-2-ylpiperidin-4-yl)-4-methoxyphenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@H]2N1C(=O)[C@H]2N3C(=O)C4=CC=CC=C4C3=O)SC5=CC=CC=C5

DOS

IR

Vibrations