Geometry & MOs

Info

ID:	41547
PubChem CID:	8146234
Reduced:	N3O4C18H29 (1)
Stoich.:	A3B4C18D29 (1)
Weight, g/mol:	404.086449
ΔH_f, kcal/mol:	-207.18
Dipole, Da:	2.1
IP(EA), eV:	-8.94(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-(4-methoxyphenyl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=O)C3(CCC(CC3)C)NC2=O

DOS

IR

Vibrations