Geometry & MOs

Info

ID:	244006
PubChem CID:	99309242
Reduced:	OSN2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-29.25
Dipole, Da:	5.61
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(propylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)CSC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations