Geometry & MOs

Info

ID:	174539
PubChem CID:	75781035
Reduced:	SCl2N4O4C20H20 (1)
Stoich.:	AB2C4D4E20F20 (1)
Weight, g/mol:	509.081707
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	10.12
IP(EA), eV:	-9.45(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CN=C(N=C1Cl)S(=O)(=O)CC2=CC=C(C=C2)Cl)C3=CC=CO3

DOS

IR

Vibrations