Geometry & MOs

Info

ID:	61560
PubChem CID:	26710468
Reduced:	BrFSN2O3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	454.137399
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	5.39
IP(EA), eV:	-8.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br)F

DOS

IR

Vibrations