Geometry & MOs

Info

ID:	78777
PubChem CID:	49718670
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	4.97
IP(EA), eV:	-9.27(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations