Geometry & MOs

Info

ID:	243460
PubChem CID:	99224141
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	443.142739
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	7.91
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)[C@@H](C)C(=O)NC3=CC(=NO3)C

DOS

IR

Vibrations