Geometry & MOs

Info

ID:	364862
PubChem CID:	127316311
Reduced:	S2N3O3C16H25 (1)
Stoich.:	A2B3C3D16E25 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	8.17
IP(EA), eV:	-9.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations