Geometry & MOs

Info

ID:	331180
PubChem CID:	127248587
Reduced:	SF2O3N4C21H22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	446.172083
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	1.5
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[5-[2-(2-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations