Geometry & MOs

Info

ID:	63457
PubChem CID:	26758381
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-222.15
Dipole, Da:	4.16
IP(EA), eV:	-8.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations