Geometry & MOs

Info

ID:	146296
PubChem CID:	53665622
Reduced:	O2C23H38 (1)
Stoich.:	A2B23C38 (1)
Weight, g/mol:	310.99384
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	1.23
IP(EA), eV:	-9.45(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-thiazol-4-yl)-(2,4-dichloro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCCCCCCCCCC12CC(C=C1)C=C2COC(=O)CCCC

DOS

IR

Vibrations