Geometry & MOs

Info

ID:	192412
PubChem CID:	78267065
Reduced:	BrON2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	485.140927
ΔH_f, kcal/mol:	30.99
Dipole, Da:	3.48
IP(EA), eV:	-8.57(-0.25)
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]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=CC2C3=CC=CC=C3OC(N2N1)C4=CC=C(C=C4)Br

DOS

IR

Vibrations