Geometry & MOs

Info

ID:	344362
PubChem CID:	127267538
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	4.84
IP(EA), eV:	-8.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylsulfonylmethyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)NC2=CC(=C(C=C2)OCCOC)Cl

DOS

IR

Vibrations