Geometry & MOs

Info

ID:	142965
PubChem CID:	53124855
Reduced:	ClSN3O5C23H26 (1)
Stoich.:	ABC3D5E23F26 (1)
Weight, g/mol:	472.178041
ΔH_f, kcal/mol:	-183.43
Dipole, Da:	5.5
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC(=O)NC4=CC(=C(C=C4)C)Cl)OC1=O

DOS

IR

Vibrations