Geometry & MOs

Info

ID:	63388
PubChem CID:	26758225
Reduced:	N2O7H20C21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-222.27
Dipole, Da:	6.61
IP(EA), eV:	-7.99(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,4-trimethyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations