Geometry & MOs

Info

ID:	282417
PubChem CID:	103926232
Reduced:	SN3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	366.01907
ΔH_f, kcal/mol:	2.33
Dipole, Da:	1.52
IP(EA), eV:	-8.5(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-bromo-N-propan-2-yl-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NCC2=CN(N=C2C(C)C)C

DOS

IR

Vibrations