Geometry & MOs

Info

ID:	157064
PubChem CID:	56413191
Reduced:	FSN3O4C25H32 (1)
Stoich.:	ABC3D4E25F32 (1)
Weight, g/mol:	488.209341
ΔH_f, kcal/mol:	-175.37
Dipole, Da:	4.57
IP(EA), eV:	-8.94(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[ethyl-[3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations