Geometry & MOs

Info

ID:	134079
PubChem CID:	51638166
Reduced:	N2F3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	474.12179
ΔH_f, kcal/mol:	-320.3
Dipole, Da:	5.23
IP(EA), eV:	-9.34(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)NCC3=CC=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations