Geometry & MOs

Info

ID:	366187
PubChem CID:	127319602
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	5.38
IP(EA), eV:	-9.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations