Geometry & MOs

Info

ID:	157774
PubChem CID:	56437123
Reduced:	SN2O3C20H32 (1)
Stoich.:	AB2C3D20E32 (1)
Weight, g/mol:	471.264568
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	4.25
IP(EA), eV:	-8.75(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CCN(C1CCN(C1)C(C)C2=CC=CC=C2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations