Geometry & MOs

Info

ID:	245241
PubChem CID:	99438005
Reduced:	FO2N5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	443.142739
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	9.39
IP(EA), eV:	-8.99(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[(3R)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)N2CCC[C@H](C2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations