Geometry & MOs

Info

ID:	142964
PubChem CID:	53124671
Reduced:	ClNS2O4H16C19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	491.12817
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	7.57
IP(EA), eV:	-9.18(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(S2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations