Geometry & MOs

Info

ID:	137448
PubChem CID:	52209228
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-209.72
Dipole, Da:	7.47
IP(EA), eV:	-10.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations