Geometry & MOs

Info

ID:	305977
PubChem CID:	124976972
Reduced:	F2O3N4C16H22 (1)
Stoich.:	A2B3C4D16E22 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-221.74
Dipole, Da:	3.9
IP(EA), eV:	-9.27(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C[C@]1(CN2CCC(CC2)(F)F)O)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations