Geometry & MOs

Info

ID:	81510
PubChem CID:	49854808
Reduced:	ClSO4N5C22H22 (1)
Stoich.:	ABC4D5E22F22 (1)
Weight, g/mol:	516.123419
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	6.57
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations