Geometry & MOs

Info

ID:	243330
PubChem CID:	99218509
Reduced:	O2F3N3C18H20 (1)
Stoich.:	A2B3C3D18E20 (1)
Weight, g/mol:	381.00098
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	3.69
IP(EA), eV:	-10.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)sulfanyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N(CC(F)(F)F)C4CC4

DOS

IR

Vibrations