Geometry & MOs

Info

ID:	74865
PubChem CID:	48422613
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	404.097284
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	1.5
IP(EA), eV:	-9.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations