Geometry & MOs

Info

ID:	55578
PubChem CID:	17395590
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	457.05719
ΔH_f, kcal/mol:	78.66
Dipole, Da:	3.7
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)CC2=NC3=CC=CC=C3C(=N2)N

DOS

IR

Vibrations