Geometry & MOs

Info

ID:	58560
PubChem CID:	24702313
Reduced:	BrFNSO3H7C12 (1)
Stoich.:	ABCDE3F7G12 (1)
Weight, g/mol:	240.102941
ΔH_f, kcal/mol:	-119.97
Dipole, Da:	3.38
IP(EA), eV:	-9.33(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(2-chlorophenyl)methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)C(=O)NC2=C(C=CS2)C(=O)O

DOS

IR

Vibrations