Geometry & MOs

Info

ID:	36666
PubChem CID:	8010570
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	4.91
IP(EA), eV:	-8.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

DOS

IR

Vibrations