Geometry & MOs

Info

ID:	244988
PubChem CID:	99431933
Reduced:	N3O5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	461.140927
ΔH_f, kcal/mol:	-132.5
Dipole, Da:	6.64
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)C4=CC=C(NC4=O)C5=CC=CC=C5

DOS

IR

Vibrations