Geometry & MOs

Info

ID:	33701
PubChem CID:	7887541
Reduced:	FNO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	397.92169
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	2.52
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C32)F

DOS

IR

Vibrations