Geometry & MOs

Info

ID:	34492
PubChem CID:	7978543
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	344.125133
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	3.39
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations