Geometry & MOs

Info

ID:	134444
PubChem CID:	51696898
Reduced:	FON5C24H32 (1)
Stoich.:	ABC5D24E32 (1)
Weight, g/mol:	362.066949
ΔH_f, kcal/mol:	-41.22
Dipole, Da:	5.25
IP(EA), eV:	-8.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CNC(=O)NCC2=CC=C(C=C2)F)C3=CC4=C(C=C3)N(CC4)C

DOS

IR

Vibrations