Geometry & MOs

Info

ID:	223670
PubChem CID:	85335396
Reduced:	NF3O3H26C28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	481.184684
ΔH_f, kcal/mol:	-214.65
Dipole, Da:	4.03
IP(EA), eV:	-8.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(propan-2-ylsulfonylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations