Geometry & MOs

Info

ID:	122949
PubChem CID:	50828372
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	2.75
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[(4-methylphenyl)sulfonylamino]-6-piperazin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN(C2=O)C3CCN(CC3)C(=O)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations