Geometry & MOs

Info

ID:	282498
PubChem CID:	103928934
Reduced:	F2N2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	300.128549
ΔH_f, kcal/mol:	-223.33
Dipole, Da:	5.89
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC(F)F)N

DOS

IR

Vibrations