Geometry & MOs

Info

ID:	153428
PubChem CID:	56312626
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	397.252941
ΔH_f, kcal/mol:	-173.67
Dipole, Da:	2.94
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations