Geometry & MOs

Info

ID:	33251
PubChem CID:	7885651
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	5.57
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC(=O)NC3CCCCC3)C

DOS

IR

Vibrations