Geometry & MOs

Info

ID:	63357
PubChem CID:	26758140
Reduced:	ClN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	465.123753
ΔH_f, kcal/mol:	-158.85
Dipole, Da:	3.9
IP(EA), eV:	-9.32(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations