Geometry & MOs

Info

ID:	68356
PubChem CID:	46508246
Reduced:	F3O3N5C20H22 (1)
Stoich.:	A3B3C5D20E22 (1)
Weight, g/mol:	405.055005
ΔH_f, kcal/mol:	-210.63
Dipole, Da:	3.33
IP(EA), eV:	-9.0(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloroanilino)-1-oxopropan-2-yl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)COC(=O)CC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C)C

DOS

IR

Vibrations