Geometry & MOs

Info

ID:	155518
PubChem CID:	56365854
Reduced:	SCl2F2N2O3H8C14 (1)
Stoich.:	AB2C2D2E3F8G14 (1)
Weight, g/mol:	468.14124
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	3.71
IP(EA), eV:	-9.53(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-(4-bromophenyl)-N-propylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SC(F)F)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations