Geometry & MOs

Info

ID:	36390
PubChem CID:	8005113
Reduced:	ClFN2O4H18C21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	391.099063
ΔH_f, kcal/mol:	-116.75
Dipole, Da:	3.18
IP(EA), eV:	-9.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations