Geometry & MOs

Info

ID:	213392
PubChem CID:	81063596
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	334.99686
ΔH_f, kcal/mol:	-167.97
Dipole, Da:	2.03
IP(EA), eV:	-8.98(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2,6-difluorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCSCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations