Geometry & MOs

Info

ID:	142601
PubChem CID:	53064439
Reduced:	SO4N5C18H21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	444.169208
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	7.09
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzotriazole-5-sulfonamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(N=N2)CCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations