Geometry & MOs

Info

ID:	437401
PubChem CID:	135226210
Reduced:	F2O3N6C28H32 (1)
Stoich.:	A2B3C6D28E32 (1)
Weight, g/mol:	467.172621
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	8.55
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-1-phenylpyrazol-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CCNCC2)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations