Geometry & MOs

Info

ID:	237392
PubChem CID:	92719030
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	5.01
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 4-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=CC=CC=C1)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CCCOC

DOS

IR

Vibrations