Geometry & MOs

Info

ID:	282510
PubChem CID:	103928972
Reduced:	BrOSN3C9H14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	352.03981
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	3.55
IP(EA), eV:	-9.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=NC=C(S1)Br)N

DOS

IR

Vibrations