Geometry & MOs

Info

ID:	195387
PubChem CID:	78680135
Reduced:	FSN3O4C18H20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-145.48
Dipole, Da:	5.15
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NNC(=O)COC1=CC=CC=C1F)NC(=O)C2=CC=CS2

DOS

IR

Vibrations