Geometry & MOs

Info

ID:	32527
PubChem CID:	7842083
Reduced:	FNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	412.093833
ΔH_f, kcal/mol:	-178.36
Dipole, Da:	4.45
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations