Geometry & MOs

Info

ID:	194538
PubChem CID:	78551589
Reduced:	FN2S2O3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	368.063092
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	3.45
IP(EA), eV:	-8.88(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-4aH-quinazolin-2-yl)ethyl 4-fluoro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C(C)OC(=O)C3=CC4=C(C=CC=C4S3)F)C

DOS

IR

Vibrations