Geometry & MOs

Info

ID:	157314
PubChem CID:	56422870
Reduced:	ClNO4H18C23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	7.4
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations