Geometry & MOs

Info

ID:	175555
PubChem CID:	75921137
Reduced:	BrNSO2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	396.146091
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	5.44
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1COCC1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

DOS

IR

Vibrations