Geometry & MOs

Info

ID:	32481
PubChem CID:	7838027
Reduced:	NO6H21C24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-161.61
Dipole, Da:	6.22
IP(EA), eV:	-8.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC1

DOS

IR

Vibrations