Geometry & MOs

Info

ID:	39815
PubChem CID:	8142464
Reduced:	FNOC6H6 (3)
Stoich.:	ABCD6E6 (3)
Weight, g/mol:	411.140591
ΔH_f, kcal/mol:	-230.22
Dipole, Da:	2.18
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[2-(2-methylphenyl)hydrazinyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@](C(=O)OC)(C(F)(F)F)NC2=C(C=CC=N2)C

DOS

IR

Vibrations