Geometry & MOs

Info

ID:	193295
PubChem CID:	78372800
Reduced:	N3O5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	-177.95
Dipole, Da:	2.25
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,5-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1C(C(=O)C2CC(CCC2N1)C(=O)OC)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations