Geometry & MOs

Info

ID:	140762
PubChem CID:	52755378
Reduced:	SO2N3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	457.182398
ΔH_f, kcal/mol:	17.3
Dipole, Da:	3.66
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)CC2=CC=CC(=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

DOS

IR

Vibrations