Geometry & MOs

Info

ID:	307780
PubChem CID:	125309124
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	2.26
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-2-(4-oxo-6-propyl-5H-pyrimidin-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NC(=O)CN2C3=CC=CC=C3C(=O)N4CCC[C@H]4C2=O)SC1

DOS

IR

Vibrations