Geometry & MOs

Info

ID:	281702
PubChem CID:	103914241
Reduced:	OSN2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	302.043
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.89
IP(EA), eV:	-8.6(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-fluorophenyl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCCSC

DOS

IR

Vibrations