Geometry & MOs

Info

ID:	171571
PubChem CID:	75395085
Reduced:	SO2N5H11C15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	78.75
Dipole, Da:	5.31
IP(EA), eV:	-9.76(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-4-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations