Geometry & MOs

Info

ID:	32482
PubChem CID:	7838028
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	7.94
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-phenoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations