Geometry & MOs

Info

ID:	33252
PubChem CID:	7885659
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	7.06
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

DOS

IR

Vibrations