Geometry & MOs

Info

ID:	182410
PubChem CID:	76887073
Reduced:	O2N6C10H15 (1)
Stoich.:	A2B6C10D15 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757874
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2C(=O)N(C(=O)[N+](=N2)C)C)C)N

DOS

IR

Vibrations