Geometry & MOs

Info

ID:	34466
PubChem CID:	7978497
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	329.150619
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	8.86
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations