Geometry & MOs

Info

ID:	42682
PubChem CID:	8149862
Reduced:	FOSN3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	405.115855
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	2.4
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-[(3-fluoro-4-methylanilino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2)F

DOS

IR

Vibrations