Geometry & MOs

Info

ID:	244624
PubChem CID:	99368433
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	413.107709
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	5.51
IP(EA), eV:	-8.93(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(1-methylimidazol-2-yl)sulfanylpyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC(=O)NC[C@@H](C2=CC=C(C=C2)OC)N3CCCC3)Cl

DOS

IR

Vibrations