Geometry & MOs

Info

ID:	323181
PubChem CID:	126673278
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	432.092597
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	1.59
IP(EA), eV:	-8.48(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C(=C1)COCCOCCOCCCC)OCC2

DOS

IR

Vibrations