Geometry & MOs

Info

ID:	398563
PubChem CID:	135033902
Reduced:	BNPO3C22H27 (1)
Stoich.:	ABCD3E22F27 (1)
Weight, g/mol:	351.096286
ΔH_f, kcal/mol:	-110.9
Dipole, Da:	6.16
IP(EA), eV:	-8.13(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylcyclohexyl)oxy-4-(4-methylphenyl)sulfonyl-1,3-thiazole

Drug info:

PubChemData

Smile

[B]O/C(=C/C(C)NP1(=O)[C@@H](CC[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)/OCC

DOS

IR

Vibrations