Geometry & MOs

Info

ID:	123277
PubChem CID:	50840202
Reduced:	ClFN2S2O3H16C18 (1)
Stoich.:	ABC2D2E3F16G18 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	8.14
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations