Geometry & MOs

Info

ID:	78778
PubChem CID:	49720287
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	3.08
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NC2=NC(=CS2)CC(=O)NC)C

DOS

IR

Vibrations