Geometry & MOs

Info

ID:	421858
PubChem CID:	135116734
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	408.11775
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	3.83
IP(EA), eV:	-9.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations