Geometry & MOs

Info

ID:	62054
PubChem CID:	26717286
Reduced:	FSN3O5H18C21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	6.14
IP(EA), eV:	-8.82(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-naphthalen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations