Geometry & MOs

Info

ID:	194313
PubChem CID:	78514135
Reduced:	O3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-179.93
Dipole, Da:	2.15
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2,5-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations