Geometry & MOs

Info

ID:	213287
PubChem CID:	81063336
Reduced:	NSO5C10H19 (1)
Stoich.:	ABC5D10E19 (1)
Weight, g/mol:	287.096914
ΔH_f, kcal/mol:	-247.35
Dipole, Da:	4.03
IP(EA), eV:	-10.2(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(difluoromethoxy)benzoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C(C)(C)S(=O)(=O)C

DOS

IR

Vibrations