Geometry & MOs

Info

ID:	34450
PubChem CID:	7978480
Reduced:	ClSO3N4C16H17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	410.115711
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	2.68
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC(=O)N3C=CSC3=N2)Cl

DOS

IR

Vibrations