Geometry & MOs

Info

ID:	252561
PubChem CID:	103112297
Reduced:	N4O5C12H18 (1)
Stoich.:	A4B5C12D18 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	-180.2
Dipole, Da:	1.89
IP(EA), eV:	-10.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations