Geometry & MOs

Info

ID:	331270
PubChem CID:	127248677
Reduced:	SO2N6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	439.238353
ΔH_f, kcal/mol:	8.74
Dipole, Da:	7.88
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)C(=O)N)N(C)C

DOS

IR

Vibrations