Geometry & MOs

Info

ID:	192413
PubChem CID:	78267066
Reduced:	SN3O4H23C27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	485.140927
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	3.41
IP(EA), eV:	-9.25(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-hydroxy-3,4-diphenylcyclopenta-1,4-dien-1-yl)amino]-6-methyl-4-oxothieno[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)NC3=CC(C(=C3)C4=CC=CC=C4)(C5=CC=CC=C5)O)C

DOS

IR

Vibrations