Geometry & MOs

Info

ID:	34438
PubChem CID:	7978467
Reduced:	ClF2N3O4C18H20 (1)
Stoich.:	AB2C3D4E18F20 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-236.12
Dipole, Da:	4.08
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2OC(F)F)Cl

DOS

IR

Vibrations