Geometry & MOs

Info

ID:	153454
PubChem CID:	56312657
Reduced:	FON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-15.5
Dipole, Da:	6.38
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-ylsulfonyl-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations