Geometry & MOs

Info

ID:	209523
PubChem CID:	80683273
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	2.42
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(C2(CCCCO2)C)NC

DOS

IR

Vibrations