Geometry & MOs

Info

ID:	124327
PubChem CID:	50878729
Reduced:	ClOSN5H10C16 (1)
Stoich.:	ABCD5E10F16 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	90.82
Dipole, Da:	10.24
IP(EA), eV:	-9.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carbonyl chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4C=NN=C4)Cl

DOS

IR

Vibrations